4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one

C12H19N3O2 — CID 137016550

IUPAC4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCCC2(C)C)nc[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-12(2)6-4-5-8(12)15-10-9(17-3)11(16)14-7-13-10/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyXVSZLSZBSHYPQF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.77
Rot. Bonds3

About 4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 137016550) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID137016550
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCCC2(C)C)nc[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-12(2)6-4-5-8(12)15-10-9(17-3)11(16)14-7-13-10/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyXVSZLSZBSHYPQF-UHFFFAOYSA-N
XLogP1.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-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-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136976362
5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136989440
4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136978525
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977554
5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136964222
5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975922
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958839
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289
methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 137007750
4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973988
4-[[1-(aminomethyl)cyclohexyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008446
4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 137004958

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 137016550) is 4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NC2CCCC2(C)C)nc[nH]c1=O.
What is the InChIKey of 4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is XVSZLSZBSHYPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2)6-4-5-8(12)15-10-9(17-3)11(16)14-7-13-10/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 137016550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).