3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid

C9H12N2O4 — CID 79366215

IUPAC3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCOc1nc(C)cc(=O)n1CCC(=O)O
InChIInChI=1S/C9H12N2O4/c1-6-5-7(12)11(4-3-8(13)14)9(10-6)15-2/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyPTUDEKLLQNRWOO-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.04
Rot. Bonds4

About 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid

3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid (PubChem CID 79366215) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
PubChem CID79366215
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCOc1nc(C)cc(=O)n1CCC(=O)O
InChIInChI=1S/C9H12N2O4/c1-6-5-7(12)11(4-3-8(13)14)9(10-6)15-2/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyPTUDEKLLQNRWOO-UHFFFAOYSA-N
XLogP0.04
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-fluorophenyl)-3-oxopropyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79370476
2-methoxy-6-methyl-3-phenacylpyrimidin-4-one
CID 79374029
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetonitrile
CID 79367231
3-(3,3-dimethyl-2-oxobutyl)-2-methoxy-6-methylpyrimidin-4-one
CID 79374027
3-(3-azidopropyl)-2-methoxy-6-methylpyrimidin-4-one
CID 79374885
ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate
CID 103484799
N-carbamoyl-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 79375686
ethyl 4-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-3-oxobutanoate
CID 79375094
1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 79371593
2-methoxy-6-methyl-3-[2-(3-methylbutylamino)ethyl]pyrimidin-4-one
CID 79374334
2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one
CID 79374762
3-[2-(4-chlorophenyl)-2-oxoethyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79374810

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid (CID 79366215) is 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid is COc1nc(C)cc(=O)n1CCC(=O)O.
What is the InChIKey of 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is PTUDEKLLQNRWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-6-5-7(12)11(4-3-8(13)14)9(10-6)15-2/h5H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 212.21 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 79366215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).