2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C13H12BrClN2O2 — CID 115565726

IUPAC2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(-c2ccc(Cl)c(Br)c2)[nH]c1=O
InChIInChI=1S/C13H12BrClN2O2/c1-6(2)10-12(18)16-11(17-13(10)19)7-3-4-9(15)8(14)5-7/h3-6H,1-2H3,(H2,16,17,18,19)
InChIKeyUKBNPFSUDFUTMU-UHFFFAOYSA-N
MW343.61 g/mol
LogP3.68
Rot. Bonds2

About 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 115565726) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID115565726
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(-c2ccc(Cl)c(Br)c2)[nH]c1=O
InChIInChI=1S/C13H12BrClN2O2/c1-6(2)10-12(18)16-11(17-13(10)19)7-3-4-9(15)8(14)5-7/h3-6H,1-2H3,(H2,16,17,18,19)
InChIKeyUKBNPFSUDFUTMU-UHFFFAOYSA-N
XLogP3.68
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 115565725
2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 55216829
4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 55217017
2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 107281016
2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136873133
4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 63611953
5-bromo-2-(3-bromo-4-chlorophenyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480124
2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613309
2-(3-bromo-4-chlorophenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136924208
2-[(3,4-dichlorophenyl)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613807
5-bromo-2-(3-chloro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66312310
8-(3-bromo-4-chlorophenyl)-3-methyl-7H-purine-2,6-dione
CID 103917937

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 115565726) is 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(-c2ccc(Cl)c(Br)c2)[nH]c1=O.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is UKBNPFSUDFUTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2/c1-6(2)10-12(18)16-11(17-13(10)19)7-3-4-9(15)8(14)5-7/h3-6H,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 343.61 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 115565726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).