2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol

C19H16ClF3N4O — CID 133472167

IUPAC2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
SMILESCC(O)(CNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccccc1Cl
InChIInChI=1S/C19H16ClF3N4O/c1-18(28,12-6-2-3-7-13(12)20)11-25-16-10-15(19(21,22)23)26-17(27-16)14-8-4-5-9-24-14/h2-10,28H,11H2,1H3,(H,25,26,27)
InChIKeyDNNXSPVFFBZFGT-UHFFFAOYSA-N
MW408.81 g/mol
LogP4.53
Rot. Bonds5

About 2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol

2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 133472167) has the molecular formula C19H16ClF3N4O and a molecular weight of 408.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID133472167
Molecular FormulaC19H16ClF3N4O
Molecular Weight408.81 g/mol
Exact Mass408.10
IUPAC Name2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
SMILESCC(O)(CNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccccc1Cl
InChIInChI=1S/C19H16ClF3N4O/c1-18(28,12-6-2-3-7-13(12)20)11-25-16-10-15(19(21,22)23)26-17(27-16)14-8-4-5-9-24-14/h2-10,28H,11H2,1H3,(H,25,26,27)
InChIKeyDNNXSPVFFBZFGT-UHFFFAOYSA-N
XLogP4.53
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.81
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475716
N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 2730488
2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol
CID 133472200
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133444857
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133399512
4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 1478446
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133380062
4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 134115580
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,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475718
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133378121
2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 95323276

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol (CID 133472167) is 2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol is CC(O)(CNc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is DNNXSPVFFBZFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O/c1-18(28,12-6-2-3-7-13(12)20)11-25-16-10-15(19(21,22)23)26-17(27-16)14-8-4-5-9-24-14/h2-10,28H,11H2,1H3,(H,25,26,27).
What are the key properties of 2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 408.81 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 133472167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).