5-cyano-4-(3,5-dichlorophenyl)-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide

C15H14Cl2N4O2 — CID 10269466

IUPAC5-cyano-4-(3,5-dichlorophenyl)-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide
SMILESCCNC(=O)N1C(=O)NC(C)=C(C#N)C1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14Cl2N4O2/c1-3-19-14(22)21-13(9-4-10(16)6-11(17)5-9)12(7-18)8(2)20-15(21)23/h4-6,13H,3H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyYKKZWYJATQCDGV-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.59
Rot. Bonds2

About 5-cyano-4-(3,5-dichlorophenyl)-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide

5-cyano-4-(3,5-dichlorophenyl)-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide (PubChem CID 10269466) has the molecular formula C15H14Cl2N4O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is 5-cyano-4-(3,5-dichlorophenyl)-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-4-(3,5-dichlorophenyl)-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide
PubChem CID10269466
Molecular FormulaC15H14Cl2N4O2
Molecular Weight353.21 g/mol
Exact Mass352.05
IUPAC Name5-cyano-4-(3,5-dichlorophenyl)-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide
SMILESCCNC(=O)N1C(=O)NC(C)=C(C#N)C1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14Cl2N4O2/c1-3-19-14(22)21-13(9-4-10(16)6-11(17)5-9)12(7-18)8(2)20-15(21)23/h4-6,13H,3H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyYKKZWYJATQCDGV-UHFFFAOYSA-N
XLogP3.59
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-Chlorophenyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 51074835
Ethyl 4-(4-chlorophenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate
CID 9880087
Ethyl 4-(3-chlorophenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate
CID 9901603
5-cyano-N-ethyl-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-3-carboxamide
CID 9943696
Ethyl 5-cyano-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate
CID 9968478
Ethyl 5-cyano-4-(3,5-dichlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate
CID 9968479
2-Methoxyethyl 5-cyano-4-(3,5-dichlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate
CID 10110543
3-Butanoyl-4-(3,5-dichlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carbonitrile
CID 10154978
4-[3-(4-chlorophenyl)phenyl]-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide
CID 10222289
Ethyl 5-cyano-4-(2,3-dichlorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate
CID 10269523
1-[(3,5-Dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 11645361
4-(3-Chlorophenyl)-5-cyano-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid
CID 22473475

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(3,5-dichlorophenyl)-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide?
The IUPAC name of 5-cyano-4-(3,5-dichlorophenyl)-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide (CID 10269466) is 5-cyano-4-(3,5-dichlorophenyl)-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyano-4-(3,5-dichlorophenyl)-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide?
The canonical SMILES for 5-cyano-4-(3,5-dichlorophenyl)-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide is CCNC(=O)N1C(=O)NC(C)=C(C#N)C1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-cyano-4-(3,5-dichlorophenyl)-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide?
The InChIKey is YKKZWYJATQCDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2/c1-3-19-14(22)21-13(9-4-10(16)6-11(17)5-9)12(7-18)8(2)20-15(21)23/h4-6,13H,3H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 5-cyano-4-(3,5-dichlorophenyl)-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide?
5-cyano-4-(3,5-dichlorophenyl)-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide has a molecular weight of 353.21 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-4-(3,5-dichlorophenyl)-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide is sourced from PubChem (CID 10269466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).