[(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol

C12H16F3N3O — CID 138020158

IUPAC[(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol
SMILESCc1cc(C(F)(F)F)nc(N[C@@H]2CCC[C@@H]2CO)n1
InChIInChI=1S/C12H16F3N3O/c1-7-5-10(12(13,14)15)18-11(16-7)17-9-4-2-3-8(9)6-19/h5,8-9,19H,2-4,6H2,1H3,(H,16,17,18)/t8-,9-/m1/s1
InChIKeyXKYYOOQAUSEXTK-RKDXNWHRSA-N
MW275.27 g/mol
LogP2.38
Rot. Bonds3

About [(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol

[(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol (PubChem CID 138020158) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is [(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol
PubChem CID138020158
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name[(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol
SMILESCc1cc(C(F)(F)F)nc(N[C@@H]2CCC[C@@H]2CO)n1
InChIInChI=1S/C12H16F3N3O/c1-7-5-10(12(13,14)15)18-11(16-7)17-9-4-2-3-8(9)6-19/h5,8-9,19H,2-4,6H2,1H3,(H,16,17,18)/t8-,9-/m1/s1
InChIKeyXKYYOOQAUSEXTK-RKDXNWHRSA-N
XLogP2.38
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentyl]methanol
CID 113243952
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol
CID 133496440
4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 82191941
[2-[(2-methyl-4-pyridinyl)amino]cyclopentyl]methanol
CID 104924451
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 114179859
4,6-dimethyl-N-(2-methylcyclopentyl)pyrimidin-2-amine
CID 63281309
[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368301
[2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexyl]methanol
CID 106368227
2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid
CID 106361779
[2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106364159
[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methanol
CID 106368117
[(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol
CID 97223315

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol?
The IUPAC name of [(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol (CID 138020158) is [(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol is Cc1cc(C(F)(F)F)nc(N[C@@H]2CCC[C@@H]2CO)n1.
What is the InChIKey of [(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol?
The InChIKey is XKYYOOQAUSEXTK-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-7-5-10(12(13,14)15)18-11(16-7)17-9-4-2-3-8(9)6-19/h5,8-9,19H,2-4,6H2,1H3,(H,16,17,18)/t8-,9-/m1/s1.
What are the key properties of [(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol?
[(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol has a molecular weight of 275.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 138020158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).