2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one

C16H11BrN2O2 — CID 10807290

IUPAC2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Br)cc2)nc(O)c1-c1ccccc1
InChIInChI=1S/C16H11BrN2O2/c17-12-8-6-11(7-9-12)14-18-15(20)13(16(21)19-14)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20,21)
InChIKeyXUIXLNWNJWKNMT-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.57
Rot. Bonds2

About 2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one

2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one (PubChem CID 10807290) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
PubChem CID10807290
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Br)cc2)nc(O)c1-c1ccccc1
InChIInChI=1S/C16H11BrN2O2/c17-12-8-6-11(7-9-12)14-18-15(20)13(16(21)19-14)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20,21)
InChIKeyXUIXLNWNJWKNMT-UHFFFAOYSA-N
XLogP3.57
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 79431022
5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 79437608
5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one
CID 79431425
5-(4-bromophenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 103119900
4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 165345881
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
5-(4-bromophenyl)-4-hydroxy-2-(1-methylimidazol-4-yl)-1H-pyrimidin-6-one
CID 107972971
2-(4-bromophenyl)-7,7-dimethyl-3H-furo[3,4-d]pyrimidine-4,5-dione
CID 141461922
2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 79570867
5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one
CID 66284557
5-(2-fluorophenyl)-4-hydroxy-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 79435149
5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one
CID 137195237

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one (CID 10807290) is 2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc(Br)cc2)nc(O)c1-c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is XUIXLNWNJWKNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-12-8-6-11(7-9-12)14-18-15(20)13(16(21)19-14)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20,21).
What are the key properties of 2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one has a molecular weight of 343.18 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 10807290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).