methyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate

C9H13N3O3 — CID 45097249

IUPACmethyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate
SMILESCOC(=O)CCn1c(N)nc(C)cc1=O
InChIInChI=1S/C9H13N3O3/c1-6-5-7(13)12(9(10)11-6)4-3-8(14)15-2/h5H,3-4H2,1-2H3,(H2,10,11)
InChIKeyGBIRBSDHQRGVRR-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.30
Rot. Bonds3

About methyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate

methyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate (PubChem CID 45097249) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate
PubChem CID45097249
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate
SMILESCOC(=O)CCn1c(N)nc(C)cc1=O
InChIInChI=1S/C9H13N3O3/c1-6-5-7(13)12(9(10)11-6)4-3-8(14)15-2/h5H,3-4H2,1-2H3,(H2,10,11)
InChIKeyGBIRBSDHQRGVRR-UHFFFAOYSA-N
XLogP-0.30
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate 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 methyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate?
The IUPAC name of methyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate (CID 45097249) is methyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate is COC(=O)CCn1c(N)nc(C)cc1=O.
What is the InChIKey of methyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate?
The InChIKey is GBIRBSDHQRGVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-5-7(13)12(9(10)11-6)4-3-8(14)15-2/h5H,3-4H2,1-2H3,(H2,10,11).
What are the key properties of methyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate?
methyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate has a molecular weight of 211.22 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 45097249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).