![5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile structure](/static/products/1020/1020252-41-8.webp)
5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile
TL;DR: 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile (CAS 1020252-41-8) is a chemical compound with molecular formula C19H11F4N5O and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-[(4-fluorophenyl)methylideneamino]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile
Also Known As: 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile, 5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile, 6-amino-5-[(4-fluorophenyl)methylideneamino]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile, 5-(1-Aza-2-(4-fluorophenyl)vinyl)-4-imino-2-oxo-3-(3-(trifluoromethyl)phenyl)-1H-1,3-diazine-6-carbonitrile, 6-amino-5-[(4-fluorophenyl)methyleneamino]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile
| Molecular Formula | C19H11F4N5O |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 3.59488 |
| Topological Polar Surface Area | 97.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.08997 |
| Heavy Atoms | 29 |
| Complexity | 1191.1921 |
Chemical Identifiers
| CAS Number | 1020252-41-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=C(C(=NC2=O)C#N)N=CC3=CC=C(C=C3)F)N)C(F)(F)F |
Product Overview
5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile (CAS 1020252-41-8), with molecular formula C19H11F4N5O and molecular weight 401.09 g/mol. IUPAC: 6-amino-5-[(4-fluorophenyl)methylideneamino]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile.
Chemical Property Profile of 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile
Property Insights of 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile
The XLogP value of 3.59488 indicates that 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile?
The CAS number of 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile is 1020252-41-8.
What is the molecular formula of 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile?
The molecular formula of 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile is C19H11F4N5O.
What is the molecular weight of 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile?
The molecular weight of 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile is 401.09 g/mol.
Where can I buy 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile?
You can request a quote for 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.