4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

C12H19N3O3 — CID 136989588

IUPAC4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC2CCCO)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-18-10-11(13-8-14-12(10)17)15-6-2-4-9(15)5-3-7-16/h8-9,16H,2-7H2,1H3,(H,13,14,17)
InChIKeyIDONUUWDMLXCHB-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.52
Rot. Bonds5

About 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136989588) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136989588
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC2CCCO)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-18-10-11(13-8-14-12(10)17)15-6-2-4-9(15)5-3-7-16/h8-9,16H,2-7H2,1H3,(H,13,14,17)
InChIKeyIDONUUWDMLXCHB-UHFFFAOYSA-N
XLogP0.52
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136989588) is 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCCC2CCCO)nc[nH]c1=O.
What is the InChIKey of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is IDONUUWDMLXCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-18-10-11(13-8-14-12(10)17)15-6-2-4-9(15)5-3-7-16/h8-9,16H,2-7H2,1H3,(H,13,14,17).
What are the key properties of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136989588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).