[1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol

C13H17ClF3N3O — CID 114562559

IUPAC[1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2cc(C(F)(F)F)nc(Cl)n2)CC1
InChIInChI=1S/C13H17ClF3N3O/c1-8-2-4-12(7-21,5-3-8)20-10-6-9(13(15,16)17)18-11(14)19-10/h6,8,21H,2-5,7H2,1H3,(H,18,19,20)
InChIKeyGZWJCCSFKZKUSC-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.50
Rot. Bonds3

About [1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol

[1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol (PubChem CID 114562559) has the molecular formula C13H17ClF3N3O and a molecular weight of 323.75 g/mol. Its IUPAC name is [1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
PubChem CID114562559
Molecular FormulaC13H17ClF3N3O
Molecular Weight323.75 g/mol
Exact Mass323.10
IUPAC Name[1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2cc(C(F)(F)F)nc(Cl)n2)CC1
InChIInChI=1S/C13H17ClF3N3O/c1-8-2-4-12(7-21,5-3-8)20-10-6-9(13(15,16)17)18-11(14)19-10/h6,8,21H,2-5,7H2,1H3,(H,18,19,20)
InChIKeyGZWJCCSFKZKUSC-UHFFFAOYSA-N
XLogP3.50
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 80951495
2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114096245
[1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
CID 80940619
N-[1-(chloromethyl)-4-methylcyclohexyl]-6-(trifluoromethyl)pyridin-2-amine
CID 65028409
[1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 79633029
[4-methyl-1-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 62525504
2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrimidine-5-sulfonamide
CID 62552865
[1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
CID 80803602
methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate
CID 66285460
[4-methyl-1-[(4-methyl-2-pyridinyl)amino]cyclohexyl]methanol
CID 62525331
2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562759
2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562240

Frequently Asked Questions

What is the IUPAC name of [1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol (CID 114562559) is [1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol is CC1CCC(CO)(Nc2cc(C(F)(F)F)nc(Cl)n2)CC1.
What is the InChIKey of [1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol?
The InChIKey is GZWJCCSFKZKUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3O/c1-8-2-4-12(7-21,5-3-8)20-10-6-9(13(15,16)17)18-11(14)19-10/h6,8,21H,2-5,7H2,1H3,(H,18,19,20).
What are the key properties of [1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol?
[1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol has a molecular weight of 323.75 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 114562559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).