2H-pyrimidine-1-carboxamide

C5H7N3O — CID 22729960

IUPAC2H-pyrimidine-1-carboxamide
SMILESNC(=O)N1C=CC=NC1
InChIInChI=1S/C5H7N3O/c6-5(9)8-3-1-2-7-4-8/h1-3H,4H2,(H2,6,9)
InChIKeyLPCQBTAOTIZGAE-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.08
Rot. Bonds

About 2H-pyrimidine-1-carboxamide

2H-pyrimidine-1-carboxamide (PubChem CID 22729960) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 2H-pyrimidine-1-carboxamide.

Molecular Properties

Compound Name2H-pyrimidine-1-carboxamide
PubChem CID22729960
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name2H-pyrimidine-1-carboxamide
SMILESNC(=O)N1C=CC=NC1
InChIInChI=1S/C5H7N3O/c6-5(9)8-3-1-2-7-4-8/h1-3H,4H2,(H2,6,9)
InChIKeyLPCQBTAOTIZGAE-UHFFFAOYSA-N
XLogP-0.08
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrimidine-1-carboxamide?
The IUPAC name of 2H-pyrimidine-1-carboxamide (CID 22729960) is 2H-pyrimidine-1-carboxamide.
What is the SMILES notation for 2H-pyrimidine-1-carboxamide?
The canonical SMILES for 2H-pyrimidine-1-carboxamide is NC(=O)N1C=CC=NC1.
What is the InChIKey of 2H-pyrimidine-1-carboxamide?
The InChIKey is LPCQBTAOTIZGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-5(9)8-3-1-2-7-4-8/h1-3H,4H2,(H2,6,9).
What are the key properties of 2H-pyrimidine-1-carboxamide?
2H-pyrimidine-1-carboxamide has a molecular weight of 125.13 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrimidine-1-carboxamide is sourced from PubChem (CID 22729960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).