4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C16H27N3O — CID 136974289

IUPAC4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC1CCC(CNc2cc(=O)[nH]c(C(C)C)n2)CC1
InChIInChI=1S/C16H27N3O/c1-4-12-5-7-13(8-6-12)10-17-14-9-15(20)19-16(18-14)11(2)3/h9,11-13H,4-8,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyJZABEEJWEYNHHV-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.52
Rot. Bonds5

About 4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136974289) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136974289
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCC1CCC(CNc2cc(=O)[nH]c(C(C)C)n2)CC1
InChIInChI=1S/C16H27N3O/c1-4-12-5-7-13(8-6-12)10-17-14-9-15(20)19-16(18-14)11(2)3/h9,11-13H,4-8,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyJZABEEJWEYNHHV-UHFFFAOYSA-N
XLogP3.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136977753
4-[(1-methylpyrrolidin-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974125
2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136974286
4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976147
4-[(1,1-dioxothiolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974464
4-[(2-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136998916
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
4-(2-cyclohexylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974200
4-[(2-methyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136905786
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
2-propan-2-yl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136976642

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136974289) is 4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CCC1CCC(CNc2cc(=O)[nH]c(C(C)C)n2)CC1.
What is the InChIKey of 4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JZABEEJWEYNHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-12-5-7-13(8-6-12)10-17-14-9-15(20)19-16(18-14)11(2)3/h9,11-13H,4-8,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 277.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136974289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).