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

C15H15BrN4O2 — CID 10270050

IUPAC4-(3-bromophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide
SMILESCCNC(=O)N1C(=O)NC(C)=C(C#N)C1c1cccc(Br)c1
InChIInChI=1S/C15H15BrN4O2/c1-3-18-14(21)20-13(10-5-4-6-11(16)7-10)12(8-17)9(2)19-15(20)22/h4-7,13H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyDHSUFVYMURODJI-UHFFFAOYSA-N
MW363.22 g/mol
LogP3.04
Rot. Bonds2

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

4-(3-bromophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide (PubChem CID 10270050) has the molecular formula C15H15BrN4O2 and a molecular weight of 363.22 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide
PubChem CID10270050
Molecular FormulaC15H15BrN4O2
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC Name4-(3-bromophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide
SMILESCCNC(=O)N1C(=O)NC(C)=C(C#N)C1c1cccc(Br)c1
InChIInChI=1S/C15H15BrN4O2/c1-3-18-14(21)20-13(10-5-4-6-11(16)7-10)12(8-17)9(2)19-15(20)22/h4-7,13H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyDHSUFVYMURODJI-UHFFFAOYSA-N
XLogP3.04
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide?
The IUPAC name of 4-(3-bromophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide (CID 10270050) is 4-(3-bromophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide.
What is the SMILES notation for 4-(3-bromophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide?
The canonical SMILES for 4-(3-bromophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide is CCNC(=O)N1C(=O)NC(C)=C(C#N)C1c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide?
The InChIKey is DHSUFVYMURODJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O2/c1-3-18-14(21)20-13(10-5-4-6-11(16)7-10)12(8-17)9(2)19-15(20)22/h4-7,13H,3H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 4-(3-bromophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide?
4-(3-bromophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide has a molecular weight of 363.22 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide is sourced from PubChem (CID 10270050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).