2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

C13H22N4O — CID 80826319

IUPAC2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCNc1nc(C)nc(NC2CCCCC2O)c1C
InChIInChI=1S/C13H22N4O/c1-8-12(14-3)15-9(2)16-13(8)17-10-6-4-5-7-11(10)18/h10-11,18H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyCCPSRKAXLSCFIB-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.85
Rot. Bonds3

About 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 80826319) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID80826319
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCNc1nc(C)nc(NC2CCCCC2O)c1C
InChIInChI=1S/C13H22N4O/c1-8-12(14-3)15-9(2)16-13(8)17-10-6-4-5-7-11(10)18/h10-11,18H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyCCPSRKAXLSCFIB-UHFFFAOYSA-N
XLogP1.85
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-N-cyclopentyl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80769676
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 81006891
2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80985130
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919271
trans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol
CID 156865350
2-ethyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80981209
2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80981493
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80972579
6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine
CID 80992645
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 66326095
6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine
CID 80828303
2-[(3-methylpyrazin-2-yl)amino]cyclopentan-1-ol
CID 127002045

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 80826319) is 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is CNc1nc(C)nc(NC2CCCCC2O)c1C.
What is the InChIKey of 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is CCPSRKAXLSCFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8-12(14-3)15-9(2)16-13(8)17-10-6-4-5-7-11(10)18/h10-11,18H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 80826319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).