5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one

C15H13BrCl2N2O — CID 136729711

IUPAC5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Cl)c(Cl)c2)nc(C2CCCC2)c1Br
InChIInChI=1S/C15H13BrCl2N2O/c16-12-13(8-3-1-2-4-8)19-14(20-15(12)21)9-5-6-10(17)11(18)7-9/h5-8H,1-4H2,(H,19,20,21)
InChIKeyBNTGJXATQOXWLQ-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.16
Rot. Bonds2

About 5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one

5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one (PubChem CID 136729711) has the molecular formula C15H13BrCl2N2O and a molecular weight of 388.09 g/mol. Its IUPAC name is 5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one
PubChem CID136729711
Molecular FormulaC15H13BrCl2N2O
Molecular Weight388.09 g/mol
Exact Mass385.96
IUPAC Name5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Cl)c(Cl)c2)nc(C2CCCC2)c1Br
InChIInChI=1S/C15H13BrCl2N2O/c16-12-13(8-3-1-2-4-8)19-14(20-15(12)21)9-5-6-10(17)11(18)7-9/h5-8H,1-4H2,(H,19,20,21)
InChIKeyBNTGJXATQOXWLQ-UHFFFAOYSA-N
XLogP5.16
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.09
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(4-bromo-3-fluorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730044
5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730042
2-(3-bromo-4-chlorophenyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729773
5-bromo-4-cyclopentyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one
CID 136813651
5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729697
5-bromo-2-(2-chloro-4-fluorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729610
5-bromo-2-(2-bromo-5-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730028
5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 136877795
5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 115926352
5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one
CID 136813643
5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730034
5-bromo-4-cyclopentyl-2-(2,4-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730055

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one (CID 136729711) is 5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc(Cl)c(Cl)c2)nc(C2CCCC2)c1Br.
What is the InChIKey of 5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one?
The InChIKey is BNTGJXATQOXWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O/c16-12-13(8-3-1-2-4-8)19-14(20-15(12)21)9-5-6-10(17)11(18)7-9/h5-8H,1-4H2,(H,19,20,21).
What are the key properties of 5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one?
5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one has a molecular weight of 388.09 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136729711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).