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

C9H13N3O2 — CID 21344765

IUPAC2-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)propanamide
SMILESCC(C)C(=O)Nc1ccn(C)c(=O)n1
InChIInChI=1S/C9H13N3O2/c1-6(2)8(13)10-7-4-5-12(3)9(14)11-7/h4-6H,1-3H3,(H,10,11,13,14)
InChIKeyYYABDVPZZKWPFY-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.37
Rot. Bonds2

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

2-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)propanamide (PubChem CID 21344765) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)propanamide
PubChem CID21344765
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)propanamide
SMILESCC(C)C(=O)Nc1ccn(C)c(=O)n1
InChIInChI=1S/C9H13N3O2/c1-6(2)8(13)10-7-4-5-12(3)9(14)11-7/h4-6H,1-3H3,(H,10,11,13,14)
InChIKeyYYABDVPZZKWPFY-UHFFFAOYSA-N
XLogP0.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)propanamide?
The IUPAC name of 2-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)propanamide (CID 21344765) is 2-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)propanamide?
The canonical SMILES for 2-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)propanamide is CC(C)C(=O)Nc1ccn(C)c(=O)n1.
What is the InChIKey of 2-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)propanamide?
The InChIKey is YYABDVPZZKWPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)8(13)10-7-4-5-12(3)9(14)11-7/h4-6H,1-3H3,(H,10,11,13,14).
What are the key properties of 2-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)propanamide?
2-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)propanamide has a molecular weight of 195.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)propanamide is sourced from PubChem (CID 21344765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).