1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione

C8H12N2O3 — CID 14449531

IUPAC1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCCO)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-6-5-10(3-2-4-11)8(13)9-7(6)12/h5,11H,2-4H2,1H3,(H,9,12,13)
InChIKeyOTAQELDEUQOZIW-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.77
Rot. Bonds3

About 1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione

1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione (PubChem CID 14449531) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione
PubChem CID14449531
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCCO)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-6-5-10(3-2-4-11)8(13)9-7(6)12/h5,11H,2-4H2,1H3,(H,9,12,13)
InChIKeyOTAQELDEUQOZIW-UHFFFAOYSA-N
XLogP-0.77
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione 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 1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione (CID 14449531) is 1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione is Cc1cn(CCCO)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is OTAQELDEUQOZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6-5-10(3-2-4-11)8(13)9-7(6)12/h5,11H,2-4H2,1H3,(H,9,12,13).
What are the key properties of 1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione?
1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 14449531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).