6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile
TL;DR: 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile (CAS 577962-56-2) is a chemical compound with molecular formula C13H8F6N4 and molecular weight 334.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile
Also Known As: ChemDiv3_007324, IDI1_025234, 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile, 6-methyl-2-(4-pyridinyl)-4,4-bis(trifluoromethyl)-1,4-dihydro-5-pyrimidinecarbonitrile, BRD-K02288208-001-01-2
| Molecular Formula | C13H8F6N4 |
|---|---|
| Molecular Weight | 334.07 g/mol |
| LogP | 3.09238 |
| Topological Polar Surface Area | 61.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.0653 |
| Heavy Atoms | 23 |
| Complexity | 694.71075 |
Chemical Identifiers
| CAS Number | 577962-56-2 |
|---|---|
| SMILES | CC1=C(C(N=C(N1)C2=CC=NC=C2)(C(F)(F)F)C(F)(F)F)C#N |
Product Overview
6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile (CAS 577962-56-2), with molecular formula C13H8F6N4 and molecular weight 334.07 g/mol. IUPAC: 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile
Property Insights of 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile
The XLogP value of 3.09238 indicates that 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile has 1 hydrogen bond donor(s) and 4 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 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile?
The CAS number of 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile is 577962-56-2.
What is the molecular formula of 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile?
The molecular formula of 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile is C13H8F6N4.
What is the molecular weight of 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile?
The molecular weight of 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile is 334.07 g/mol.
Where can I buy 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile?
You can request a quote for 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-2-pyridin-4-yl-4,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.