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

C19H17BrClN3O3 — CID 132561965

IUPAC6-(4-bromophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCON1C(=O)NC(c2ccc(Br)cc2)C(C(=O)Nc2ccc(Cl)cc2)=C1C
InChIInChI=1S/C19H17BrClN3O3/c1-11-16(18(25)22-15-9-7-14(21)8-10-15)17(23-19(26)24(11)27-2)12-3-5-13(20)6-4-12/h3-10,17H,1-2H3,(H,22,25)(H,23,26)
InChIKeyCHQNSEZHFUDYPE-UHFFFAOYSA-N
MW450.72 g/mol
LogP4.64
Rot. Bonds4

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

6-(4-bromophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 132561965) has the molecular formula C19H17BrClN3O3 and a molecular weight of 450.72 g/mol. Its IUPAC name is 6-(4-bromophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-(4-bromophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
PubChem CID132561965
Molecular FormulaC19H17BrClN3O3
Molecular Weight450.72 g/mol
Exact Mass449.01
IUPAC Name6-(4-bromophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCON1C(=O)NC(c2ccc(Br)cc2)C(C(=O)Nc2ccc(Cl)cc2)=C1C
InChIInChI=1S/C19H17BrClN3O3/c1-11-16(18(25)22-15-9-7-14(21)8-10-15)17(23-19(26)24(11)27-2)12-3-5-13(20)6-4-12/h3-10,17H,1-2H3,(H,22,25)(H,23,26)
InChIKeyCHQNSEZHFUDYPE-UHFFFAOYSA-N
XLogP4.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.72
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of 6-(4-bromophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide (CID 132561965) is 6-(4-bromophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 6-(4-bromophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 6-(4-bromophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide is CON1C(=O)NC(c2ccc(Br)cc2)C(C(=O)Nc2ccc(Cl)cc2)=C1C.
What is the InChIKey of 6-(4-bromophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is CHQNSEZHFUDYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClN3O3/c1-11-16(18(25)22-15-9-7-14(21)8-10-15)17(23-19(26)24(11)27-2)12-3-5-13(20)6-4-12/h3-10,17H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 6-(4-bromophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
6-(4-bromophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 450.72 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-N-(4-chlorophenyl)-3-methoxy-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 132561965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).