3-hydroxy-2-methyl-4H-pyrimidine

C5H8N2O — CID 19962067

IUPAC3-hydroxy-2-methyl-4H-pyrimidine
SMILESCC1=NC=CCN1O
InChIInChI=1S/C5H8N2O/c1-5-6-3-2-4-7(5)8/h2-3,8H,4H2,1H3
InChIKeyCJTSZLWDMDGLIO-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.62
Rot. Bonds

About 3-hydroxy-2-methyl-4H-pyrimidine

3-hydroxy-2-methyl-4H-pyrimidine (PubChem CID 19962067) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-4H-pyrimidine.

Molecular Properties

Compound Name3-hydroxy-2-methyl-4H-pyrimidine
PubChem CID19962067
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name3-hydroxy-2-methyl-4H-pyrimidine
SMILESCC1=NC=CCN1O
InChIInChI=1S/C5H8N2O/c1-5-6-3-2-4-7(5)8/h2-3,8H,4H2,1H3
InChIKeyCJTSZLWDMDGLIO-UHFFFAOYSA-N
XLogP0.62
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-2-methyl-4H-pyrimidine 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 3-hydroxy-2-methyl-4H-pyrimidine?
The IUPAC name of 3-hydroxy-2-methyl-4H-pyrimidine (CID 19962067) is 3-hydroxy-2-methyl-4H-pyrimidine.
What is the SMILES notation for 3-hydroxy-2-methyl-4H-pyrimidine?
The canonical SMILES for 3-hydroxy-2-methyl-4H-pyrimidine is CC1=NC=CCN1O.
What is the InChIKey of 3-hydroxy-2-methyl-4H-pyrimidine?
The InChIKey is CJTSZLWDMDGLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-5-6-3-2-4-7(5)8/h2-3,8H,4H2,1H3.
What are the key properties of 3-hydroxy-2-methyl-4H-pyrimidine?
3-hydroxy-2-methyl-4H-pyrimidine has a molecular weight of 112.13 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-4H-pyrimidine is sourced from PubChem (CID 19962067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).