3-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylpropanamide

C10H13N3O4 — CID 80643058

IUPAC3-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C10H13N3O4/c1-6(14)7-5-12-10(17)13(9(7)16)4-3-8(15)11-2/h5H,3-4H2,1-2H3,(H,11,15)(H,12,17)
InChIKeyIKOQGKXIZLQRQJ-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.12
Rot. Bonds4

About 3-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylpropanamide

3-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylpropanamide (PubChem CID 80643058) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylpropanamide
PubChem CID80643058
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C10H13N3O4/c1-6(14)7-5-12-10(17)13(9(7)16)4-3-8(15)11-2/h5H,3-4H2,1-2H3,(H,11,15)(H,12,17)
InChIKeyIKOQGKXIZLQRQJ-UHFFFAOYSA-N
XLogP-1.12
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylpropanamide?
The IUPAC name of 3-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylpropanamide (CID 80643058) is 3-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylpropanamide?
The canonical SMILES for 3-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylpropanamide is CNC(=O)CCn1c(=O)[nH]cc(C(C)=O)c1=O.
What is the InChIKey of 3-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylpropanamide?
The InChIKey is IKOQGKXIZLQRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6(14)7-5-12-10(17)13(9(7)16)4-3-8(15)11-2/h5H,3-4H2,1-2H3,(H,11,15)(H,12,17).
What are the key properties of 3-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylpropanamide?
3-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylpropanamide has a molecular weight of 239.23 g/mol, XLogP of -1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-methylpropanamide is sourced from PubChem (CID 80643058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).