N-(1-methyl-2-oxopyrimidin-4-yl)propanamide

C8H11N3O2 — CID 72620162

IUPACN-(1-methyl-2-oxopyrimidin-4-yl)propanamide
SMILESCCC(=O)Nc1ccn(C)c(=O)n1
InChIInChI=1S/C8H11N3O2/c1-3-7(12)9-6-4-5-11(2)8(13)10-6/h4-5H,3H2,1-2H3,(H,9,10,12,13)
InChIKeyOAZFGSRYYDZYFT-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.13
Rot. Bonds2

About N-(1-methyl-2-oxopyrimidin-4-yl)propanamide

N-(1-methyl-2-oxopyrimidin-4-yl)propanamide (PubChem CID 72620162) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(1-methyl-2-oxopyrimidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxopyrimidin-4-yl)propanamide
PubChem CID72620162
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(1-methyl-2-oxopyrimidin-4-yl)propanamide
SMILESCCC(=O)Nc1ccn(C)c(=O)n1
InChIInChI=1S/C8H11N3O2/c1-3-7(12)9-6-4-5-11(2)8(13)10-6/h4-5H,3H2,1-2H3,(H,9,10,12,13)
InChIKeyOAZFGSRYYDZYFT-UHFFFAOYSA-N
XLogP0.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methyl-2-oxopyrimidin-4-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

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxopyrimidin-4-yl)propanamide?
The IUPAC name of N-(1-methyl-2-oxopyrimidin-4-yl)propanamide (CID 72620162) is N-(1-methyl-2-oxopyrimidin-4-yl)propanamide.
What is the SMILES notation for N-(1-methyl-2-oxopyrimidin-4-yl)propanamide?
The canonical SMILES for N-(1-methyl-2-oxopyrimidin-4-yl)propanamide is CCC(=O)Nc1ccn(C)c(=O)n1.
What is the InChIKey of N-(1-methyl-2-oxopyrimidin-4-yl)propanamide?
The InChIKey is OAZFGSRYYDZYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-7(12)9-6-4-5-11(2)8(13)10-6/h4-5H,3H2,1-2H3,(H,9,10,12,13).
What are the key properties of N-(1-methyl-2-oxopyrimidin-4-yl)propanamide?
N-(1-methyl-2-oxopyrimidin-4-yl)propanamide has a molecular weight of 181.19 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxopyrimidin-4-yl)propanamide is sourced from PubChem (CID 72620162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).