5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo-
TL;DR: 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo- (CAS 63731-94-2) is a chemical compound with molecular formula C12H10N4O and molecular weight 226.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-2-oxopyrimidin-1-yl)methyl]benzonitrile
Also Known As: 3-Benzyl-6-imino-2-oxo-1,2,3,6-tetrahydro-5-pyrimidinecarbonitrile, 3-butyl-1-methylpyrrolidine,cyanocyanamide, 2-[(4-amino-2-oxopyrimidin-1(2h)-yl)methyl]benzonitrile, 2-[(4-amino-2-oxopyrimidin-1-yl)methyl]benzonitrile, 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo-
| Molecular Formula | C12H10N4O |
|---|---|
| Molecular Weight | 226.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.08546 |
| Heavy Atoms | 17 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 63731-94-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C=CC(=NC2=O)N)C#N |
| InChIKey | DMTMAAJIOCWLSH-UHFFFAOYSA-N |
Product Overview
5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo- (CAS 63731-94-2), with molecular formula C12H10N4O and molecular weight 226.09 g/mol. IUPAC: 2-[(4-amino-2-oxopyrimidin-1-yl)methyl]benzonitrile.
Chemical Property Profile of 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo-
Property Insights of 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo-. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo-. Following Lipinski's Rule of Five, 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo- has 1 hydrogen bond donor(s) and 2 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-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo-?
The CAS number of 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo- is 63731-94-2.
What is the molecular formula of 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo-?
The molecular formula of 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo- is C12H10N4O.
What is the molecular weight of 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo-?
The molecular weight of 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo- is 226.09 g/mol.
Where can I buy 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo-?
You can request a quote for 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.