5-acetyl-3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)pyrimidine-2,4-dione

C19H14BrClN2O3 — CID 4602134

IUPAC5-acetyl-3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccc(Br)cc2)c1=O
InChIInChI=1S/C19H14BrClN2O3/c1-12(24)17-11-22(16-8-6-15(21)7-9-16)19(26)23(18(17)25)10-13-2-4-14(20)5-3-13/h2-9,11H,10H2,1H3
InChIKeyWNTVLKMCJUJUQS-UHFFFAOYSA-N
MW433.69 g/mol
LogP3.67
Rot. Bonds4

About 5-acetyl-3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)pyrimidine-2,4-dione

5-acetyl-3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)pyrimidine-2,4-dione (PubChem CID 4602134) has the molecular formula C19H14BrClN2O3 and a molecular weight of 433.69 g/mol. Its IUPAC name is 5-acetyl-3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)pyrimidine-2,4-dione
PubChem CID4602134
Molecular FormulaC19H14BrClN2O3
Molecular Weight433.69 g/mol
Exact Mass431.99
IUPAC Name5-acetyl-3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccc(Br)cc2)c1=O
InChIInChI=1S/C19H14BrClN2O3/c1-12(24)17-11-22(16-8-6-15(21)7-9-16)19(26)23(18(17)25)10-13-2-4-14(20)5-3-13/h2-9,11H,10H2,1H3
InChIKeyWNTVLKMCJUJUQS-UHFFFAOYSA-N
XLogP3.67
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.69
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)pyrimidine-2,4-dione (CID 4602134) is 5-acetyl-3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)pyrimidine-2,4-dione is CC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccc(Br)cc2)c1=O.
What is the InChIKey of 5-acetyl-3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The InChIKey is WNTVLKMCJUJUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClN2O3/c1-12(24)17-11-22(16-8-6-15(21)7-9-16)19(26)23(18(17)25)10-13-2-4-14(20)5-3-13/h2-9,11H,10H2,1H3.
What are the key properties of 5-acetyl-3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)pyrimidine-2,4-dione?
5-acetyl-3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)pyrimidine-2,4-dione has a molecular weight of 433.69 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 4602134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).