1,2-dihydropyrimidine-2-carboxamide

C5H7N3O — CID 22318737

IUPAC1,2-dihydropyrimidine-2-carboxamide
SMILESNC(=O)C1N=CC=CN1
InChIInChI=1S/C5H7N3O/c6-4(9)5-7-2-1-3-8-5/h1-3,5,7H,(H2,6,9)
InChIKeyKOLLRRMFUJOKDG-UHFFFAOYSA-N
MW125.13 g/mol
LogP-1.01
Rot. Bonds1

About 1,2-dihydropyrimidine-2-carboxamide

1,2-dihydropyrimidine-2-carboxamide (PubChem CID 22318737) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 1,2-dihydropyrimidine-2-carboxamide.

Molecular Properties

Compound Name1,2-dihydropyrimidine-2-carboxamide
PubChem CID22318737
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name1,2-dihydropyrimidine-2-carboxamide
SMILESNC(=O)C1N=CC=CN1
InChIInChI=1S/C5H7N3O/c6-4(9)5-7-2-1-3-8-5/h1-3,5,7H,(H2,6,9)
InChIKeyKOLLRRMFUJOKDG-UHFFFAOYSA-N
XLogP-1.01
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrimidine-2-carboxamide?
The IUPAC name of 1,2-dihydropyrimidine-2-carboxamide (CID 22318737) is 1,2-dihydropyrimidine-2-carboxamide.
What is the SMILES notation for 1,2-dihydropyrimidine-2-carboxamide?
The canonical SMILES for 1,2-dihydropyrimidine-2-carboxamide is NC(=O)C1N=CC=CN1.
What is the InChIKey of 1,2-dihydropyrimidine-2-carboxamide?
The InChIKey is KOLLRRMFUJOKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-4(9)5-7-2-1-3-8-5/h1-3,5,7H,(H2,6,9).
What are the key properties of 1,2-dihydropyrimidine-2-carboxamide?
1,2-dihydropyrimidine-2-carboxamide has a molecular weight of 125.13 g/mol, XLogP of -1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrimidine-2-carboxamide is sourced from PubChem (CID 22318737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).