2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one

C13H22N4O — CID 136958284

IUPAC2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCNC1CCC(N(C)c2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C13H22N4O/c1-9-15-12(8-13(18)16-9)17(3)11-6-4-10(14-2)5-7-11/h8,10-11,14H,4-7H2,1-3H3,(H,15,16,18)
InChIKeyWJQAJKKXBQEXJG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.05
Rot. Bonds3

About 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one

2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one (PubChem CID 136958284) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
PubChem CID136958284
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCNC1CCC(N(C)c2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C13H22N4O/c1-9-15-12(8-13(18)16-9)17(3)11-6-4-10(14-2)5-7-11/h8,10-11,14H,4-7H2,1-3H3,(H,15,16,18)
InChIKeyWJQAJKKXBQEXJG-UHFFFAOYSA-N
XLogP1.05
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-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

6-[(4,4-Difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177233933
2-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one
CID 140329312
3-[3-(Cyclohexylamino)propyl]-2,6-dimethylpyrimidin-4-one
CID 55236462
3-[2-(Cyclohexylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63793846
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818519
6-amino-2-(cyclohexylamino)pyrimidin-4(3H)-one
CID 136070960
4-amino-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136077756
4-(dimethylamino)-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 136314512

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one (CID 136958284) is 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one is CNC1CCC(N(C)c2cc(=O)[nH]c(C)n2)CC1.
What is the InChIKey of 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The InChIKey is WJQAJKKXBQEXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-15-12(8-13(18)16-9)17(3)11-6-4-10(14-2)5-7-11/h8,10-11,14H,4-7H2,1-3H3,(H,15,16,18).
What are the key properties of 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).