2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

C13H22N4O — CID 80934612

IUPAC2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCc1nc(NC)cc(NC2CCCCC2O)n1
InChIInChI=1S/C13H22N4O/c1-3-11-16-12(14-2)8-13(17-11)15-9-6-4-5-7-10(9)18/h8-10,18H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyHMKGGIZONDWHKZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.80
Rot. Bonds4

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

2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 80934612) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID80934612
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCc1nc(NC)cc(NC2CCCCC2O)n1
InChIInChI=1S/C13H22N4O/c1-3-11-16-12(14-2)8-13(17-11)15-9-6-4-5-7-10(9)18/h8-10,18H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyHMKGGIZONDWHKZ-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-ethyl-6-N-methyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80933606
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80934405
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826322
2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80934582
[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106368406
2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80933209
4-N-(2-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80803646
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368257
4-N-(2-cyclohexylethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933213
[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106364158
2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826651
4-N-cyclohexyl-4-N,2-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934243

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 80934612) is 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is CCc1nc(NC)cc(NC2CCCCC2O)n1.
What is the InChIKey of 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is HMKGGIZONDWHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-11-16-12(14-2)8-13(17-11)15-9-6-4-5-7-10(9)18/h8-10,18H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 80934612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).