2-oxopyrimidine-1-carboxamide

C5H5N3O2 — CID 66924430

IUPAC2-oxopyrimidine-1-carboxamide
SMILESNC(=O)n1cccnc1=O
InChIInChI=1S/C5H5N3O2/c6-4(9)8-3-1-2-7-5(8)10/h1-3H,(H2,6,9)
InChIKeyIGPLVHBLSGBONR-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.83
Rot. Bonds

About 2-oxopyrimidine-1-carboxamide

2-oxopyrimidine-1-carboxamide (PubChem CID 66924430) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is 2-oxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name2-oxopyrimidine-1-carboxamide
PubChem CID66924430
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Name2-oxopyrimidine-1-carboxamide
SMILESNC(=O)n1cccnc1=O
InChIInChI=1S/C5H5N3O2/c6-4(9)8-3-1-2-7-5(8)10/h1-3H,(H2,6,9)
InChIKeyIGPLVHBLSGBONR-UHFFFAOYSA-N
XLogP-0.83
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxopyrimidine-1-carboxamide?
The IUPAC name of 2-oxopyrimidine-1-carboxamide (CID 66924430) is 2-oxopyrimidine-1-carboxamide.
What is the SMILES notation for 2-oxopyrimidine-1-carboxamide?
The canonical SMILES for 2-oxopyrimidine-1-carboxamide is NC(=O)n1cccnc1=O.
What is the InChIKey of 2-oxopyrimidine-1-carboxamide?
The InChIKey is IGPLVHBLSGBONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2/c6-4(9)8-3-1-2-7-5(8)10/h1-3H,(H2,6,9).
What are the key properties of 2-oxopyrimidine-1-carboxamide?
2-oxopyrimidine-1-carboxamide has a molecular weight of 139.11 g/mol, XLogP of -0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopyrimidine-1-carboxamide is sourced from PubChem (CID 66924430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).