2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C15H14F3N7 — CID 95323276

IUPAC2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESC[C@H](Cn1cncn1)Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C15H14F3N7/c1-10(7-25-9-19-8-21-25)22-13-6-12(15(16,17)18)23-14(24-13)11-4-2-3-5-20-11/h2-6,8-10H,7H2,1H3,(H,22,23,24)/t10-/m1/s1
InChIKeyZQXZQWPTBSZUSR-SNVBAGLBSA-N
MW349.32 g/mol
LogP2.65
Rot. Bonds5

About 2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine

2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 95323276) has the molecular formula C15H14F3N7 and a molecular weight of 349.32 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID95323276
Molecular FormulaC15H14F3N7
Molecular Weight349.32 g/mol
Exact Mass349.13
IUPAC Name2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESC[C@H](Cn1cncn1)Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C15H14F3N7/c1-10(7-25-9-19-8-21-25)22-13-6-12(15(16,17)18)23-14(24-13)11-4-2-3-5-20-11/h2-6,8-10H,7H2,1H3,(H,22,23,24)/t10-/m1/s1
InChIKeyZQXZQWPTBSZUSR-SNVBAGLBSA-N
XLogP2.65
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133378121
N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 97018968
N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475716
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133444857
N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 2730488
N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475718
2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133472167
4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 134115580
2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 91796955
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133399512
N-[2-(oxolan-3-yl)-1-phenylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133413468
N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 86900419

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 95323276) is 2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine is C[C@H](Cn1cncn1)Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1.
What is the InChIKey of 2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZQXZQWPTBSZUSR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14F3N7/c1-10(7-25-9-19-8-21-25)22-13-6-12(15(16,17)18)23-14(24-13)11-4-2-3-5-20-11/h2-6,8-10H,7H2,1H3,(H,22,23,24)/t10-/m1/s1.
What are the key properties of 2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 349.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 95323276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).