2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one

C7H11N3O2 — CID 3505546

IUPAC2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCO)c(N)n1
InChIInChI=1S/C7H11N3O2/c1-5-4-6(12)10(2-3-11)7(8)9-5/h4,11H,2-3H2,1H3,(H2,8,9)
InChIKeyJDZQNYOQTGSCLU-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.87
Rot. Bonds2

About 2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one

2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one (PubChem CID 3505546) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one
PubChem CID3505546
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCO)c(N)n1
InChIInChI=1S/C7H11N3O2/c1-5-4-6(12)10(2-3-11)7(8)9-5/h4,11H,2-3H2,1H3,(H2,8,9)
InChIKeyJDZQNYOQTGSCLU-UHFFFAOYSA-N
XLogP-0.87
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-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 2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one?
The IUPAC name of 2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one (CID 3505546) is 2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one is Cc1cc(=O)n(CCO)c(N)n1.
What is the InChIKey of 2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one?
The InChIKey is JDZQNYOQTGSCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5-4-6(12)10(2-3-11)7(8)9-5/h4,11H,2-3H2,1H3,(H2,8,9).
What are the key properties of 2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one?
2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one has a molecular weight of 169.18 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 3505546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).