N-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine

C16H10ClF3N4 — CID 134095406

IUPACN-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2cccnc2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H10ClF3N4/c17-11-3-5-12(6-4-11)22-15-23-13(10-2-1-7-21-9-10)8-14(24-15)16(18,19)20/h1-9H,(H,22,23,24)
InChIKeyYQVJCJIRDNWKCU-UHFFFAOYSA-N
MW350.73 g/mol
LogP4.95
Rot. Bonds3

About N-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine

N-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 134095406) has the molecular formula C16H10ClF3N4 and a molecular weight of 350.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID134095406
Molecular FormulaC16H10ClF3N4
Molecular Weight350.73 g/mol
Exact Mass350.05
IUPAC NameN-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2cccnc2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H10ClF3N4/c17-11-3-5-12(6-4-11)22-15-23-13(10-2-1-7-21-9-10)8-14(24-15)16(18,19)20/h1-9H,(H,22,23,24)
InChIKeyYQVJCJIRDNWKCU-UHFFFAOYSA-N
XLogP4.95
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.73
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 1419469
4-[[4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid
CID 91926804
4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 141185318
N-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine
CID 45034036
2-(2-pyridin-3-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 86615453
3-fluoro-2-pyridin-3-yl-6-(trifluoromethyl)pyridine
CID 46315838
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791500
5-pyridin-3-yl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 118093083
4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821955
4-chloro-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 156866103
N-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 550635
4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563203

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine (CID 134095406) is N-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(-c2cccnc2)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YQVJCJIRDNWKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4/c17-11-3-5-12(6-4-11)22-15-23-13(10-2-1-7-21-9-10)8-14(24-15)16(18,19)20/h1-9H,(H,22,23,24).
What are the key properties of N-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine?
N-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 350.73 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 134095406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).