2-oxo-1,6-dihydropyrimidine-3-carboxamide

C5H7N3O2 — CID 66924431

IUPAC2-oxo-1,6-dihydropyrimidine-3-carboxamide
SMILESNC(=O)N1C=CCNC1=O
InChIInChI=1S/C5H7N3O2/c6-4(9)8-3-1-2-7-5(8)10/h1,3H,2H2,(H2,6,9)(H,7,10)
InChIKeyBGEHGFOTEUSRAX-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.40
Rot. Bonds

About 2-oxo-1,6-dihydropyrimidine-3-carboxamide

2-oxo-1,6-dihydropyrimidine-3-carboxamide (PubChem CID 66924431) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-oxo-1,6-dihydropyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-1,6-dihydropyrimidine-3-carboxamide
PubChem CID66924431
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2-oxo-1,6-dihydropyrimidine-3-carboxamide
SMILESNC(=O)N1C=CCNC1=O
InChIInChI=1S/C5H7N3O2/c6-4(9)8-3-1-2-7-5(8)10/h1,3H,2H2,(H2,6,9)(H,7,10)
InChIKeyBGEHGFOTEUSRAX-UHFFFAOYSA-N
XLogP-0.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,6-dihydropyrimidine-3-carboxamide?
The IUPAC name of 2-oxo-1,6-dihydropyrimidine-3-carboxamide (CID 66924431) is 2-oxo-1,6-dihydropyrimidine-3-carboxamide.
What is the SMILES notation for 2-oxo-1,6-dihydropyrimidine-3-carboxamide?
The canonical SMILES for 2-oxo-1,6-dihydropyrimidine-3-carboxamide is NC(=O)N1C=CCNC1=O.
What is the InChIKey of 2-oxo-1,6-dihydropyrimidine-3-carboxamide?
The InChIKey is BGEHGFOTEUSRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-4(9)8-3-1-2-7-5(8)10/h1,3H,2H2,(H2,6,9)(H,7,10).
What are the key properties of 2-oxo-1,6-dihydropyrimidine-3-carboxamide?
2-oxo-1,6-dihydropyrimidine-3-carboxamide has a molecular weight of 141.13 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,6-dihydropyrimidine-3-carboxamide is sourced from PubChem (CID 66924431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).