2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one

C13H19N3O2 — CID 136758197

IUPAC2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1CCN(c2cc(=O)[nH]c(C3CC3)n2)C1CO
InChIInChI=1S/C13H19N3O2/c1-8-4-5-16(10(8)7-17)11-6-12(18)15-13(14-11)9-2-3-9/h6,8-10,17H,2-5,7H2,1H3,(H,14,15,18)
InChIKeyDPRFDWBXMVZBLD-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.85
Rot. Bonds3

About 2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136758197) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136758197
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1CCN(c2cc(=O)[nH]c(C3CC3)n2)C1CO
InChIInChI=1S/C13H19N3O2/c1-8-4-5-16(10(8)7-17)11-6-12(18)15-13(14-11)9-2-3-9/h6,8-10,17H,2-5,7H2,1H3,(H,14,15,18)
InChIKeyDPRFDWBXMVZBLD-UHFFFAOYSA-N
XLogP0.85
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-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-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136758191
2-ethyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758192
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136758193
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758194
2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759218
2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766326
2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781035
4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136781042
2-cyclopropyl-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817768
2-cyclopropyl-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847968
2-cyclopropyl-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136857366
2-cyclopropyl-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136901131

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136758197) is 2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one is CC1CCN(c2cc(=O)[nH]c(C3CC3)n2)C1CO.
What is the InChIKey of 2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is DPRFDWBXMVZBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-4-5-16(10(8)7-17)11-6-12(18)15-13(14-11)9-2-3-9/h6,8-10,17H,2-5,7H2,1H3,(H,14,15,18).
What are the key properties of 2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136758197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).