[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol

C12H17F3N4O — CID 106368301

IUPAC[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESNc1cc(NC2CCCCC2CO)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)11-18-9(16)5-10(19-11)17-8-4-2-1-3-7(8)6-20/h5,7-8,20H,1-4,6H2,(H3,16,17,18,19)
InChIKeyYUODBVPSYLQTID-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.04
Rot. Bonds3

About [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol

[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol (PubChem CID 106368301) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol
PubChem CID106368301
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESNc1cc(NC2CCCCC2CO)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)11-18-9(16)5-10(19-11)17-8-4-2-1-3-7(8)6-20/h5,7-8,20H,1-4,6H2,(H3,16,17,18,19)
InChIKeyYUODBVPSYLQTID-UHFFFAOYSA-N
XLogP2.04
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol with MolForge

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Related Compounds

[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 104924452
2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine
CID 80962087
[2-[(6-amino-4-nitro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106368323
4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770552
4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771197
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368257
[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106368406
[2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol
CID 133412384
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 106770327
[2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106775857
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol
CID 106772304
[2-[(2-aminoquinazolin-4-yl)amino]cyclohexyl]methanol
CID 106368258

Frequently Asked Questions

What is the IUPAC name of [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol (CID 106368301) is [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol is Nc1cc(NC2CCCCC2CO)nc(C(F)(F)F)n1.
What is the InChIKey of [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is YUODBVPSYLQTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)11-18-9(16)5-10(19-11)17-8-4-2-1-3-7(8)6-20/h5,7-8,20H,1-4,6H2,(H3,16,17,18,19).
What are the key properties of [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol?
[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol has a molecular weight of 290.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 106368301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).