N-(4-acetamido-1-methyl-6-oxopyrimidin-5-yl)acetamide

C9H12N4O3 — CID 816949

IUPACN-(4-acetamido-1-methyl-6-oxopyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1ncn(C)c(=O)c1NC(C)=O
InChIInChI=1S/C9H12N4O3/c1-5(14)11-7-8(12-6(2)15)10-4-13(3)9(7)16/h4H,1-3H3,(H,11,14)(H,12,15)
InChIKeyWSSOTIJPJIJICD-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.30
Rot. Bonds2

About N-(4-acetamido-1-methyl-6-oxopyrimidin-5-yl)acetamide

N-(4-acetamido-1-methyl-6-oxopyrimidin-5-yl)acetamide (PubChem CID 816949) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(4-acetamido-1-methyl-6-oxopyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamido-1-methyl-6-oxopyrimidin-5-yl)acetamide
PubChem CID816949
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-(4-acetamido-1-methyl-6-oxopyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1ncn(C)c(=O)c1NC(C)=O
InChIInChI=1S/C9H12N4O3/c1-5(14)11-7-8(12-6(2)15)10-4-13(3)9(7)16/h4H,1-3H3,(H,11,14)(H,12,15)
InChIKeyWSSOTIJPJIJICD-UHFFFAOYSA-N
XLogP-0.30
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-1-methyl-6-oxopyrimidin-5-yl)acetamide?
The IUPAC name of N-(4-acetamido-1-methyl-6-oxopyrimidin-5-yl)acetamide (CID 816949) is N-(4-acetamido-1-methyl-6-oxopyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(4-acetamido-1-methyl-6-oxopyrimidin-5-yl)acetamide?
The canonical SMILES for N-(4-acetamido-1-methyl-6-oxopyrimidin-5-yl)acetamide is CC(=O)Nc1ncn(C)c(=O)c1NC(C)=O.
What is the InChIKey of N-(4-acetamido-1-methyl-6-oxopyrimidin-5-yl)acetamide?
The InChIKey is WSSOTIJPJIJICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-5(14)11-7-8(12-6(2)15)10-4-13(3)9(7)16/h4H,1-3H3,(H,11,14)(H,12,15).
What are the key properties of N-(4-acetamido-1-methyl-6-oxopyrimidin-5-yl)acetamide?
N-(4-acetamido-1-methyl-6-oxopyrimidin-5-yl)acetamide has a molecular weight of 224.22 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-1-methyl-6-oxopyrimidin-5-yl)acetamide is sourced from PubChem (CID 816949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).