2-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate

C9H13N3O4 — CID 11593793

IUPAC2-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate
SMILESCOc1nc(N)cc(=O)n1CCOC(C)=O
InChIInChI=1S/C9H13N3O4/c1-6(13)16-4-3-12-8(14)5-7(10)11-9(12)15-2/h5H,3-4,10H2,1-2H3
InChIKeySSHDKFNGYRZQKC-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.60
Rot. Bonds4

About 2-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate

2-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate (PubChem CID 11593793) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate
PubChem CID11593793
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate
SMILESCOc1nc(N)cc(=O)n1CCOC(C)=O
InChIInChI=1S/C9H13N3O4/c1-6(13)16-4-3-12-8(14)5-7(10)11-9(12)15-2/h5H,3-4,10H2,1-2H3
InChIKeySSHDKFNGYRZQKC-UHFFFAOYSA-N
XLogP-0.60
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate 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-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate?
The IUPAC name of 2-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate (CID 11593793) is 2-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate?
The canonical SMILES for 2-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate is COc1nc(N)cc(=O)n1CCOC(C)=O.
What is the InChIKey of 2-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate?
The InChIKey is SSHDKFNGYRZQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-6(13)16-4-3-12-8(14)5-7(10)11-9(12)15-2/h5H,3-4,10H2,1-2H3.
What are the key properties of 2-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate?
2-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate has a molecular weight of 227.22 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxy-6-oxopyrimidin-1-yl)ethyl acetate is sourced from PubChem (CID 11593793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).