N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide

C17H15N3O3 — CID 110331928

IUPACN-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccco3)[nH]c(=O)n2)c(C)c1
InChIInChI=1S/C17H15N3O3/c1-10-5-6-12(11(2)8-10)18-16(21)14-9-13(19-17(22)20-14)15-4-3-7-23-15/h3-9H,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyWHPXQQPIWUJTDQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.90
Rot. Bonds3

About N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide

N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 110331928) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID110331928
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccco3)[nH]c(=O)n2)c(C)c1
InChIInChI=1S/C17H15N3O3/c1-10-5-6-12(11(2)8-10)18-16(21)14-9-13(19-17(22)20-14)15-4-3-7-23-15/h3-9H,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyWHPXQQPIWUJTDQ-UHFFFAOYSA-N
XLogP2.90
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331954
6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide
CID 110331915
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331957
6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide
CID 110331841
N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331871
N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 694750
N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513943
2-N-(2,4-dimethylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085064
N-(2,4-dimethylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224341
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219413
N-(2,4-dimethylphenyl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705769

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide (CID 110331928) is N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccco3)[nH]c(=O)n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is WHPXQQPIWUJTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-5-6-12(11(2)8-10)18-16(21)14-9-13(19-17(22)20-14)15-4-3-7-23-15/h3-9H,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide?
N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 110331928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).