2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one

C12H17N3O2 — CID 136976584

IUPAC2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(CO)CC2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H17N3O2/c16-7-12(3-4-12)6-13-9-5-10(17)15-11(14-9)8-1-2-8/h5,8,16H,1-4,6-7H2,(H2,13,14,15,17)
InChIKeyYPDJUDFVJWOGJO-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.83
Rot. Bonds5

About 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136976584) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136976584
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(CO)CC2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H17N3O2/c16-7-12(3-4-12)6-13-9-5-10(17)15-11(14-9)8-1-2-8/h5,8,16H,1-4,6-7H2,(H2,13,14,15,17)
InChIKeyYPDJUDFVJWOGJO-UHFFFAOYSA-N
XLogP0.83
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-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

2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid
CID 136972253
2-cyclopropyl-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762614
2-cyclopropyl-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976098
1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958612
5-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958938
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974135
2-cyclopropyl-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976032
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 137016695

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (CID 136976584) is 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is O=c1cc(NCC2(CO)CC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is YPDJUDFVJWOGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-7-12(3-4-12)6-13-9-5-10(17)15-11(14-9)8-1-2-8/h5,8,16H,1-4,6-7H2,(H2,13,14,15,17).
What are the key properties of 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).