5-amino-2-methyl-3-prop-2-enylpyrimidin-4-one

C8H11N3O — CID 22943391

IUPAC5-amino-2-methyl-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(C)ncc(N)c1=O
InChIInChI=1S/C8H11N3O/c1-3-4-11-6(2)10-5-7(9)8(11)12/h3,5H,1,4,9H2,2H3
InChIKeyVDEAGQSFVQXFDD-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.32
Rot. Bonds2

About 5-amino-2-methyl-3-prop-2-enylpyrimidin-4-one

5-amino-2-methyl-3-prop-2-enylpyrimidin-4-one (PubChem CID 22943391) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-amino-2-methyl-3-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-2-methyl-3-prop-2-enylpyrimidin-4-one
PubChem CID22943391
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-amino-2-methyl-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(C)ncc(N)c1=O
InChIInChI=1S/C8H11N3O/c1-3-4-11-6(2)10-5-7(9)8(11)12/h3,5H,1,4,9H2,2H3
InChIKeyVDEAGQSFVQXFDD-UHFFFAOYSA-N
XLogP0.32
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-amino-2-methyl-3-prop-2-enylpyrimidin-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-2-methyl-3-prop-2-enylpyrimidin-4-one?
The IUPAC name of 5-amino-2-methyl-3-prop-2-enylpyrimidin-4-one (CID 22943391) is 5-amino-2-methyl-3-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 5-amino-2-methyl-3-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 5-amino-2-methyl-3-prop-2-enylpyrimidin-4-one is C=CCn1c(C)ncc(N)c1=O.
What is the InChIKey of 5-amino-2-methyl-3-prop-2-enylpyrimidin-4-one?
The InChIKey is VDEAGQSFVQXFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-3-4-11-6(2)10-5-7(9)8(11)12/h3,5H,1,4,9H2,2H3.
What are the key properties of 5-amino-2-methyl-3-prop-2-enylpyrimidin-4-one?
5-amino-2-methyl-3-prop-2-enylpyrimidin-4-one has a molecular weight of 165.20 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 22943391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).