N-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide

C8H9N3O4 — CID 18941787

IUPACN-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide
SMILESCC(=O)c1c(NC=O)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H9N3O4/c1-4(13)5-6(9-3-12)11(2)8(15)10-7(5)14/h3H,1-2H3,(H,9,12)(H,10,14,15)
InChIKeyIFZUMHPKVBOVHW-UHFFFAOYSA-N
MW211.18 g/mol
LogP-1.16
Rot. Bonds3

About N-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide

N-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide (PubChem CID 18941787) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is N-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide.

Molecular Properties

Compound NameN-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide
PubChem CID18941787
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC NameN-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide
SMILESCC(=O)c1c(NC=O)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H9N3O4/c1-4(13)5-6(9-3-12)11(2)8(15)10-7(5)14/h3H,1-2H3,(H,9,12)(H,10,14,15)
InChIKeyIFZUMHPKVBOVHW-UHFFFAOYSA-N
XLogP-1.16
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide?
The IUPAC name of N-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide (CID 18941787) is N-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide.
What is the SMILES notation for N-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide?
The canonical SMILES for N-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide is CC(=O)c1c(NC=O)n(C)c(=O)[nH]c1=O.
What is the InChIKey of N-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide?
The InChIKey is IFZUMHPKVBOVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-4(13)5-6(9-3-12)11(2)8(15)10-7(5)14/h3H,1-2H3,(H,9,12)(H,10,14,15).
What are the key properties of N-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide?
N-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide has a molecular weight of 211.18 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide is sourced from PubChem (CID 18941787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).