6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide

C12H11N3O3 — CID 110331841

IUPAC6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(-c2ccco2)[nH]c(=O)n1
InChIInChI=1S/C12H11N3O3/c1-2-5-13-11(16)9-7-8(14-12(17)15-9)10-4-3-6-18-10/h2-4,6-7H,1,5H2,(H,13,16)(H,14,15,17)
InChIKeyAYLHHMRRQMFGCS-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.95
Rot. Bonds4

About 6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide

6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide (PubChem CID 110331841) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide
PubChem CID110331841
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(-c2ccco2)[nH]c(=O)n1
InChIInChI=1S/C12H11N3O3/c1-2-5-13-11(16)9-7-8(14-12(17)15-9)10-4-3-6-18-10/h2-4,6-7H,1,5H2,(H,13,16)(H,14,15,17)
InChIKeyAYLHHMRRQMFGCS-UHFFFAOYSA-N
XLogP0.95
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide
CID 110331915
N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331871
N-(3-fluorophenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331954
N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331928
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331957
1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide
CID 32738812
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 110908938
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
5-(furan-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 35555970

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide (CID 110331841) is 6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide is C=CCNC(=O)c1cc(-c2ccco2)[nH]c(=O)n1.
What is the InChIKey of 6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide?
The InChIKey is AYLHHMRRQMFGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-2-5-13-11(16)9-7-8(14-12(17)15-9)10-4-3-6-18-10/h2-4,6-7H,1,5H2,(H,13,16)(H,14,15,17).
What are the key properties of 6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide?
6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 110331841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).