2,4-dioxopyrimidine-1-carboxamide

C5H5N3O3 — CID 54056435

IUPAC2,4-dioxopyrimidine-1-carboxamide
SMILESNC(=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C5H5N3O3/c6-4(10)8-2-1-3(9)7-5(8)11/h1-2H,(H2,6,10)(H,7,9,11)
InChIKeyLWPBLHCNGJYUGX-UHFFFAOYSA-N
MW155.11 g/mol
LogP-1.54
Rot. Bonds

About 2,4-dioxopyrimidine-1-carboxamide

2,4-dioxopyrimidine-1-carboxamide (PubChem CID 54056435) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name2,4-dioxopyrimidine-1-carboxamide
PubChem CID54056435
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name2,4-dioxopyrimidine-1-carboxamide
SMILESNC(=O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C5H5N3O3/c6-4(10)8-2-1-3(9)7-5(8)11/h1-2H,(H2,6,10)(H,7,9,11)
InChIKeyLWPBLHCNGJYUGX-UHFFFAOYSA-N
XLogP-1.54
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 2,4-dioxopyrimidine-1-carboxamide (CID 54056435) is 2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 2,4-dioxopyrimidine-1-carboxamide is NC(=O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is LWPBLHCNGJYUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c6-4(10)8-2-1-3(9)7-5(8)11/h1-2H,(H2,6,10)(H,7,9,11).
What are the key properties of 2,4-dioxopyrimidine-1-carboxamide?
2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 155.11 g/mol, XLogP of -1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 54056435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).