4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one

C13H21N3O — CID 136957054

IUPAC4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)C1CCCCC1Nc1cc(=O)[nH]cn1
InChIInChI=1S/C13H21N3O/c1-9(2)10-5-3-4-6-11(10)16-12-7-13(17)15-8-14-12/h7-11H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyPMCKAINWDMLDJP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.40
Rot. Bonds3

About 4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one

4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957054) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136957054
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)C1CCCCC1Nc1cc(=O)[nH]cn1
InChIInChI=1S/C13H21N3O/c1-9(2)10-5-3-4-6-11(10)16-12-7-13(17)15-8-14-12/h7-11H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyPMCKAINWDMLDJP-UHFFFAOYSA-N
XLogP2.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136956697
4-(1-cyclohexylethylamino)-1H-pyrimidin-6-one
CID 136956585
2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136976602
4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136958128
5-bromo-4-methyl-N-(2-propan-2-ylcyclohexyl)pyridin-2-amine
CID 114869348
4-[(3,5-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956826
4-(methylamino)-1H-pyrimidin-6-one
CID 135481447
4-[(2,6-dimethylpiperidin-1-yl)amino]-1H-pyrimidin-6-one
CID 136976661
6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine
CID 114785800
4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 136956275
4-[(2-methoxy-2-methylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 164650015
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one
CID 137015539

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one (CID 136957054) is 4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one is CC(C)C1CCCCC1Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is PMCKAINWDMLDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)10-5-3-4-6-11(10)16-12-7-13(17)15-8-14-12/h7-11H,3-6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one?
4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).