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

C14H23N3O — CID 136973804

IUPAC4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CCC(Nc2cc(=O)[nH]c(C(C)C)n2)CC1
InChIInChI=1S/C14H23N3O/c1-9(2)14-16-12(8-13(18)17-14)15-11-6-4-10(3)5-7-11/h8-11H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyRMVTWIGQDVUPBB-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.88
Rot. Bonds3

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

4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136973804) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136973804
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CCC(Nc2cc(=O)[nH]c(C(C)C)n2)CC1
InChIInChI=1S/C14H23N3O/c1-9(2)14-16-12(8-13(18)17-14)15-11-6-4-10(3)5-7-11/h8-11H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyRMVTWIGQDVUPBB-UHFFFAOYSA-N
XLogP2.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclooctylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973651
cis-(1R,3S)-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136876806
4-[(2,3-dimethylcyclopentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976044
N-cyclopropyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 136976813
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136746833
4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976147
4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 137015861
4-[2-[cyclopropyl(methyl)amino]ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975550
4-[(2-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136998916
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975670
4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989480
4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136977753

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136973804) is 4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC1CCC(Nc2cc(=O)[nH]c(C(C)C)n2)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is RMVTWIGQDVUPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)14-16-12(8-13(18)17-14)15-11-6-4-10(3)5-7-11/h8-11H,4-7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 249.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).