1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one

C8H12N2O4 — CID 126759806

IUPAC1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one
SMILESO=c1ncccn1CC(O)[C@H](O)CO
InChIInChI=1S/C8H12N2O4/c11-5-7(13)6(12)4-10-3-1-2-9-8(10)14/h1-3,6-7,11-13H,4-5H2/t6?,7-/m1/s1
InChIKeyZCELJXJLUKTSDY-COBSHVIPSA-N
MW200.19 g/mol
LogP-2.04
Rot. Bonds4

About 1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one

1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one (PubChem CID 126759806) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one
PubChem CID126759806
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one
SMILESO=c1ncccn1CC(O)[C@H](O)CO
InChIInChI=1S/C8H12N2O4/c11-5-7(13)6(12)4-10-3-1-2-9-8(10)14/h1-3,6-7,11-13H,4-5H2/t6?,7-/m1/s1
InChIKeyZCELJXJLUKTSDY-COBSHVIPSA-N
XLogP-2.04
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-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 1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one?
The IUPAC name of 1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one (CID 126759806) is 1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one.
What is the SMILES notation for 1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one?
The canonical SMILES for 1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one is O=c1ncccn1CC(O)[C@H](O)CO.
What is the InChIKey of 1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one?
The InChIKey is ZCELJXJLUKTSDY-COBSHVIPSA-N. The full InChI is InChI=1S/C8H12N2O4/c11-5-7(13)6(12)4-10-3-1-2-9-8(10)14/h1-3,6-7,11-13H,4-5H2/t6?,7-/m1/s1.
What are the key properties of 1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one?
1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one has a molecular weight of 200.19 g/mol, XLogP of -2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one is sourced from PubChem (CID 126759806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).