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

C14H8BrClN2O3 — CID 106886137

IUPAC2-(3-bromofuran-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2occc2Br)nc(O)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H8BrClN2O3/c15-9-4-5-21-11(9)12-17-13(19)10(14(20)18-12)7-2-1-3-8(16)6-7/h1-6H,(H2,17,18,19,20)
InChIKeyOMMQKOUOYNEGDK-UHFFFAOYSA-N
MW367.59 g/mol
LogP3.82
Rot. Bonds2

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

2-(3-bromofuran-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 106886137) has the molecular formula C14H8BrClN2O3 and a molecular weight of 367.59 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID106886137
Molecular FormulaC14H8BrClN2O3
Molecular Weight367.59 g/mol
Exact Mass365.94
IUPAC Name2-(3-bromofuran-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2occc2Br)nc(O)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H8BrClN2O3/c15-9-4-5-21-11(9)12-17-13(19)10(14(20)18-12)7-2-1-3-8(16)6-7/h1-6H,(H2,17,18,19,20)
InChIKeyOMMQKOUOYNEGDK-UHFFFAOYSA-N
XLogP3.82
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.59
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromofuran-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 106886131
5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one
CID 79431425
5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 79431642
5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 79431640
5-(3-chlorophenyl)-4-hydroxy-2-pyrimidin-4-yl-1H-pyrimidin-6-one
CID 79431639
5-(3-chlorophenyl)-4-hydroxy-2-pyrazin-2-yl-1H-pyrimidin-6-one
CID 79431769
5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 79441182
5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 107925383
5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 79431771
5-(3-chlorophenyl)-4-hydroxy-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
CID 79429745
2-(1-aminopropan-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79440205
5-(3-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439793

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromofuran-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 106886137) is 2-(3-bromofuran-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromofuran-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2occc2Br)nc(O)c1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-bromofuran-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is OMMQKOUOYNEGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O3/c15-9-4-5-21-11(9)12-17-13(19)10(14(20)18-12)7-2-1-3-8(16)6-7/h1-6H,(H2,17,18,19,20).
What are the key properties of 2-(3-bromofuran-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(3-bromofuran-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 367.59 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 106886137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).