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

C14H8Br2N2O2S — CID 79434742

IUPAC5-(2-bromophenyl)-2-(5-bromothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Br)s2)nc(O)c1-c1ccccc1Br
InChIInChI=1S/C14H8Br2N2O2S/c15-8-4-2-1-3-7(8)11-13(19)17-12(18-14(11)20)9-5-6-10(16)21-9/h1-6H,(H2,17,18,19,20)
InChIKeyOPIXCUJRTQHQBD-UHFFFAOYSA-N
MW428.11 g/mol
LogP4.40
Rot. Bonds2

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

5-(2-bromophenyl)-2-(5-bromothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79434742) has the molecular formula C14H8Br2N2O2S and a molecular weight of 428.11 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-(5-bromothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-(5-bromothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79434742
Molecular FormulaC14H8Br2N2O2S
Molecular Weight428.11 g/mol
Exact Mass425.87
IUPAC Name5-(2-bromophenyl)-2-(5-bromothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Br)s2)nc(O)c1-c1ccccc1Br
InChIInChI=1S/C14H8Br2N2O2S/c15-8-4-2-1-3-7(8)11-13(19)17-12(18-14(11)20)9-5-6-10(16)21-9/h1-6H,(H2,17,18,19,20)
InChIKeyOPIXCUJRTQHQBD-UHFFFAOYSA-N
XLogP4.40
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.11
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromothiophen-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66285974
5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 79438852
2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439583
5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one
CID 79439110
5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 115345591
5-(2-bromophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 79438851
5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one
CID 79434090
2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439289
5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 79438779
5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 79431640
5-(2-bromophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116706012
5-(2-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 79434992

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-(5-bromothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-bromophenyl)-2-(5-bromothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 79434742) is 5-(2-bromophenyl)-2-(5-bromothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-bromophenyl)-2-(5-bromothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-bromophenyl)-2-(5-bromothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc(Br)s2)nc(O)c1-c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)-2-(5-bromothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is OPIXCUJRTQHQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2O2S/c15-8-4-2-1-3-7(8)11-13(19)17-12(18-14(11)20)9-5-6-10(16)21-9/h1-6H,(H2,17,18,19,20).
What are the key properties of 5-(2-bromophenyl)-2-(5-bromothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
5-(2-bromophenyl)-2-(5-bromothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 428.11 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-(5-bromothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79434742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).