pyrimidine-2-carboxamide

C5H5N3O — CID 15149799

IUPACpyrimidine-2-carboxamide
SMILESNC(=O)c1ncccn1
InChIInChI=1S/C5H5N3O/c6-4(9)5-7-2-1-3-8-5/h1-3H,(H2,6,9)
InChIKeyFUXJMHXHGDAHPD-UHFFFAOYSA-N
MW123.11 g/mol
LogP-0.42
Rot. Bonds1

About pyrimidine-2-carboxamide

pyrimidine-2-carboxamide (PubChem CID 15149799) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is pyrimidine-2-carboxamide.

Molecular Properties

Compound Namepyrimidine-2-carboxamide
PubChem CID15149799
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC Namepyrimidine-2-carboxamide
SMILESNC(=O)c1ncccn1
InChIInChI=1S/C5H5N3O/c6-4(9)5-7-2-1-3-8-5/h1-3H,(H2,6,9)
InChIKeyFUXJMHXHGDAHPD-UHFFFAOYSA-N
XLogP-0.42
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrimidine-2-carboxamide?
The IUPAC name of pyrimidine-2-carboxamide (CID 15149799) is pyrimidine-2-carboxamide.
What is the SMILES notation for pyrimidine-2-carboxamide?
The canonical SMILES for pyrimidine-2-carboxamide is NC(=O)c1ncccn1.
What is the InChIKey of pyrimidine-2-carboxamide?
The InChIKey is FUXJMHXHGDAHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c6-4(9)5-7-2-1-3-8-5/h1-3H,(H2,6,9).
What are the key properties of pyrimidine-2-carboxamide?
pyrimidine-2-carboxamide has a molecular weight of 123.11 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine-2-carboxamide is sourced from PubChem (CID 15149799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).