6-amino-2-methoxy-3-(2-oxopropyl)pyrimidin-4-one

C8H11N3O3 — CID 11629775

IUPAC6-amino-2-methoxy-3-(2-oxopropyl)pyrimidin-4-one
SMILESCOc1nc(N)cc(=O)n1CC(C)=O
InChIInChI=1S/C8H11N3O3/c1-5(12)4-11-7(13)3-6(9)10-8(11)14-2/h3H,4,9H2,1-2H3
InChIKeyDATYMGOKNVWGLW-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.58
Rot. Bonds3

About 6-amino-2-methoxy-3-(2-oxopropyl)pyrimidin-4-one

6-amino-2-methoxy-3-(2-oxopropyl)pyrimidin-4-one (PubChem CID 11629775) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 6-amino-2-methoxy-3-(2-oxopropyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-methoxy-3-(2-oxopropyl)pyrimidin-4-one
PubChem CID11629775
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name6-amino-2-methoxy-3-(2-oxopropyl)pyrimidin-4-one
SMILESCOc1nc(N)cc(=O)n1CC(C)=O
InChIInChI=1S/C8H11N3O3/c1-5(12)4-11-7(13)3-6(9)10-8(11)14-2/h3H,4,9H2,1-2H3
InChIKeyDATYMGOKNVWGLW-UHFFFAOYSA-N
XLogP-0.58
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-amino-2-methoxy-3-(2-oxopropyl)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 6-amino-2-methoxy-3-(2-oxopropyl)pyrimidin-4-one?
The IUPAC name of 6-amino-2-methoxy-3-(2-oxopropyl)pyrimidin-4-one (CID 11629775) is 6-amino-2-methoxy-3-(2-oxopropyl)pyrimidin-4-one.
What is the SMILES notation for 6-amino-2-methoxy-3-(2-oxopropyl)pyrimidin-4-one?
The canonical SMILES for 6-amino-2-methoxy-3-(2-oxopropyl)pyrimidin-4-one is COc1nc(N)cc(=O)n1CC(C)=O.
What is the InChIKey of 6-amino-2-methoxy-3-(2-oxopropyl)pyrimidin-4-one?
The InChIKey is DATYMGOKNVWGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(12)4-11-7(13)3-6(9)10-8(11)14-2/h3H,4,9H2,1-2H3.
What are the key properties of 6-amino-2-methoxy-3-(2-oxopropyl)pyrimidin-4-one?
6-amino-2-methoxy-3-(2-oxopropyl)pyrimidin-4-one has a molecular weight of 197.19 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methoxy-3-(2-oxopropyl)pyrimidin-4-one is sourced from PubChem (CID 11629775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).