5-amino-1-(2-hydroxyethyl)pyrimidin-4-one

C6H9N3O2 — CID 115114226

IUPAC5-amino-1-(2-hydroxyethyl)pyrimidin-4-one
SMILESNc1cn(CCO)cnc1=O
InChIInChI=1S/C6H9N3O2/c7-5-3-9(1-2-10)4-8-6(5)11/h3-4,10H,1-2,7H2
InChIKeyFHKSHLZLUXMYHV-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.18
Rot. Bonds2

About 5-amino-1-(2-hydroxyethyl)pyrimidin-4-one

5-amino-1-(2-hydroxyethyl)pyrimidin-4-one (PubChem CID 115114226) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-amino-1-(2-hydroxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-(2-hydroxyethyl)pyrimidin-4-one
PubChem CID115114226
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name5-amino-1-(2-hydroxyethyl)pyrimidin-4-one
SMILESNc1cn(CCO)cnc1=O
InChIInChI=1S/C6H9N3O2/c7-5-3-9(1-2-10)4-8-6(5)11/h3-4,10H,1-2,7H2
InChIKeyFHKSHLZLUXMYHV-UHFFFAOYSA-N
XLogP-1.18
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-1-(2-hydroxyethyl)pyrimidin-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 5-amino-1-(2-hydroxyethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-1-(2-hydroxyethyl)pyrimidin-4-one (CID 115114226) is 5-amino-1-(2-hydroxyethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-(2-hydroxyethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-1-(2-hydroxyethyl)pyrimidin-4-one is Nc1cn(CCO)cnc1=O.
What is the InChIKey of 5-amino-1-(2-hydroxyethyl)pyrimidin-4-one?
The InChIKey is FHKSHLZLUXMYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-5-3-9(1-2-10)4-8-6(5)11/h3-4,10H,1-2,7H2.
What are the key properties of 5-amino-1-(2-hydroxyethyl)pyrimidin-4-one?
5-amino-1-(2-hydroxyethyl)pyrimidin-4-one has a molecular weight of 155.16 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-hydroxyethyl)pyrimidin-4-one is sourced from PubChem (CID 115114226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).