4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one

C11H17N3O — CID 136825670

IUPAC4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCC1CCC(Nc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H17N3O/c1-8-2-4-9(5-3-8)14-10-6-11(15)13-7-12-10/h6-9H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyHRTWUOJQIWJROD-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.76
Rot. Bonds2

About 4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one

4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136825670) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136825670
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCC1CCC(Nc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H17N3O/c1-8-2-4-9(5-3-8)14-10-6-11(15)13-7-12-10/h6-9H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyHRTWUOJQIWJROD-UHFFFAOYSA-N
XLogP1.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514
2-(4-Methyl-cyclohexylamino)-6-trifluoromethyl-pyrimidin-4-ol
CID 136741341
3-Methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one
CID 138058019
4-methyl-2-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136151008
4-methyl-2-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136166741
2-(cyclohexylmethylamino)-4-methyl-1H-pyrimidin-6-one
CID 136186395
4-(2,6-dimethylazepan-1-yl)-1H-pyrimidin-6-one
CID 136382786
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
2-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 140329315
cyclohexanamine;4-(methylamino)-1H-pyrimidin-6-one
CID 145268943
4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one
CID 159090684
4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane
CID 160966104

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one (CID 136825670) is 4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one is CC1CCC(Nc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is HRTWUOJQIWJROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-2-4-9(5-3-8)14-10-6-11(15)13-7-12-10/h6-9H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one?
4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136825670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).