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

C9H13N3O3 — CID 79374179

IUPAC3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCOc1nc(C)cc(=O)n1CCC(N)=O
InChIInChI=1S/C9H13N3O3/c1-6-5-8(14)12(4-3-7(10)13)9(11-6)15-2/h5H,3-4H2,1-2H3,(H2,10,13)
InChIKeyZSVOFFWWICFXFX-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.56
Rot. Bonds4

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

3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanamide (PubChem CID 79374179) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanamide
PubChem CID79374179
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCOc1nc(C)cc(=O)n1CCC(N)=O
InChIInChI=1S/C9H13N3O3/c1-6-5-8(14)12(4-3-7(10)13)9(11-6)15-2/h5H,3-4H2,1-2H3,(H2,10,13)
InChIKeyZSVOFFWWICFXFX-UHFFFAOYSA-N
XLogP-0.56
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-Fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one
CID 80695143
3-(3-Fluoropropyl)-2-methoxy-6-methylpyrimidin-4-one
CID 81114529
3-Ethyl-2-methoxy-6-methylpyrimidin-4-one
CID 15423006
N-ethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
CID 137304332
2-(1,4-Dimethyl-6-oxopyrimidin-2-yl)acetamide
CID 142628378
Methyl 3-(2-amino-4-methyl-6-oxopyrimidin-1(6H)-yl)propanoate
CID 45097249
3-(4-Aminobutyl)-6-methylpyrimidin-4-one
CID 61224165
3-(3-Amino-2-methylpropyl)-6-methylpyrimidin-4-one
CID 61224167
Methyl 3-(4-methyl-6-oxopyrimidin-1-yl)propanoate
CID 61224173
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide
CID 61224760
3-(3-Aminopropyl)-6-methylpyrimidin-4-one
CID 61227115
6-Methyl-3-[3-(methylamino)propyl]pyrimidin-4-one
CID 61387816

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanamide (CID 79374179) is 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanamide is COc1nc(C)cc(=O)n1CCC(N)=O.
What is the InChIKey of 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is ZSVOFFWWICFXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-5-8(14)12(4-3-7(10)13)9(11-6)15-2/h5H,3-4H2,1-2H3,(H2,10,13).
What are the key properties of 3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanamide?
3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 211.22 g/mol, XLogP of -0.56, 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)propanamide is sourced from PubChem (CID 79374179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).