5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione

C11H7BrCl2N2O2 — CID 55237113

IUPAC5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C11H7BrCl2N2O2/c12-7-5-16(11(18)15-10(7)17)4-6-1-2-8(13)9(14)3-6/h1-3,5H,4H2,(H,15,17,18)
InChIKeyKMOIXWUDTPGRSV-UHFFFAOYSA-N
MW350.00 g/mol
LogP2.65
Rot. Bonds2

About 5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione

5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 55237113) has the molecular formula C11H7BrCl2N2O2 and a molecular weight of 350.00 g/mol. Its IUPAC name is 5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione
PubChem CID55237113
Molecular FormulaC11H7BrCl2N2O2
Molecular Weight350.00 g/mol
Exact Mass347.91
IUPAC Name5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C11H7BrCl2N2O2/c12-7-5-16(11(18)15-10(7)17)4-6-1-2-8(13)9(14)3-6/h1-3,5H,4H2,(H,15,17,18)
InChIKeyKMOIXWUDTPGRSV-UHFFFAOYSA-N
XLogP2.65
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.00
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione (CID 55237113) is 5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccc(Cl)c(Cl)c2)cc1Br.
What is the InChIKey of 5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is KMOIXWUDTPGRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2O2/c12-7-5-16(11(18)15-10(7)17)4-6-1-2-8(13)9(14)3-6/h1-3,5H,4H2,(H,15,17,18).
What are the key properties of 5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione?
5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 350.00 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 55237113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).