6-oxo-1H-pyrimidine-5-carboxamide

C5H5N3O2 — CID 817685

IUPAC6-oxo-1H-pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C5H5N3O2/c6-4(9)3-1-7-2-8-5(3)10/h1-2H,(H2,6,9)(H,7,8,10)
InChIKeyZOSXLRUOBVSFQV-UHFFFAOYSA-N
MW139.11 g/mol
LogP-1.13
Rot. Bonds1

About 6-oxo-1H-pyrimidine-5-carboxamide

6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 817685) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is 6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID817685
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Name6-oxo-1H-pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C5H5N3O2/c6-4(9)3-1-7-2-8-5(3)10/h1-2H,(H2,6,9)(H,7,8,10)
InChIKeyZOSXLRUOBVSFQV-UHFFFAOYSA-N
XLogP-1.13
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-oxo-1H-pyrimidine-5-carboxamide (CID 817685) is 6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-1H-pyrimidine-5-carboxamide is NC(=O)c1cnc[nH]c1=O.
What is the InChIKey of 6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ZOSXLRUOBVSFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2/c6-4(9)3-1-7-2-8-5(3)10/h1-2H,(H2,6,9)(H,7,8,10).
What are the key properties of 6-oxo-1H-pyrimidine-5-carboxamide?
6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 139.11 g/mol, XLogP of -1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 817685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).