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

C13H22N4O — CID 106368257

IUPAC[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCNc1cc(NC2CCCCC2CO)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-9-15-12(14-2)7-13(16-9)17-11-6-4-3-5-10(11)8-18/h7,10-11,18H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyIFQZZUBJNWMIAZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.79
Rot. Bonds4

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

[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol (PubChem CID 106368257) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
PubChem CID106368257
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCNc1cc(NC2CCCCC2CO)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-9-15-12(14-2)7-13(16-9)17-11-6-4-3-5-10(11)8-18/h7,10-11,18H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyIFQZZUBJNWMIAZ-UHFFFAOYSA-N
XLogP1.79
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 114179859
4-N-(2-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80803646
[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol
CID 133472380
[2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 80856232
[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106368406
[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106364158
[(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol
CID 97223315
2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80934612
6-ethoxy-N-(2-ethylcyclohexyl)-2-methylpyrimidin-4-amine
CID 66327527
[2-(pyridin-2-ylamino)cyclohexyl]methanol
CID 106362177
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826322
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136746833

Frequently Asked Questions

What is the IUPAC name of [2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol (CID 106368257) is [2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol is CNc1cc(NC2CCCCC2CO)nc(C)n1.
What is the InChIKey of [2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is IFQZZUBJNWMIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-15-12(14-2)7-13(16-9)17-11-6-4-3-5-10(11)8-18/h7,10-11,18H,3-6,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of [2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol has a molecular weight of 250.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 106368257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).