1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol

C13H11ClF3N3O — CID 59825980

IUPAC1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol
SMILESCC(O)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F
InChIInChI=1S/C13H11ClF3N3O/c1-7(21)10-6-18-12(20-11(10)13(15,16)17)19-9-4-2-3-8(14)5-9/h2-7,21H,1H3,(H,18,19,20)
InChIKeyRIZNKMCLOURSBN-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.95
Rot. Bonds3

About 1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol

1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol (PubChem CID 59825980) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is 1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol
PubChem CID59825980
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol
SMILESCC(O)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F
InChIInChI=1S/C13H11ClF3N3O/c1-7(21)10-6-18-12(20-11(10)13(15,16)17)19-9-4-2-3-8(14)5-9/h2-7,21H,1H3,(H,18,19,20)
InChIKeyRIZNKMCLOURSBN-UHFFFAOYSA-N
XLogP3.95
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 58168920
N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 11509091
N-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 59825953
[1-[[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methanol;formic acid
CID 11575936
2-(3-chloroanilino)-N-[(2-chloro-4-fluorophenyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10321948
N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 69232407
2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 4688948
2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 16719433
2-N-(3-chlorophenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112903722
2-(4-chloro-3-methylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 68620191
2-(3-chloroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316131
N-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine
CID 126516203

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol?
The IUPAC name of 1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol (CID 59825980) is 1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol is CC(O)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F.
What is the InChIKey of 1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol?
The InChIKey is RIZNKMCLOURSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c1-7(21)10-6-18-12(20-11(10)13(15,16)17)19-9-4-2-3-8(14)5-9/h2-7,21H,1H3,(H,18,19,20).
What are the key properties of 1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol?
1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol has a molecular weight of 317.70 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 59825980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).