2-(3-bromothiophen-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one

C15H11BrN2O2S — CID 115380787

IUPAC2-(3-bromothiophen-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2c(O)nc(-c3sccc3Br)[nH]c2=O)c1
InChIInChI=1S/C15H11BrN2O2S/c1-8-3-2-4-9(7-8)11-14(19)17-13(18-15(11)20)12-10(16)5-6-21-12/h2-7H,1H3,(H2,17,18,19,20)
InChIKeyPNOPZCQEESCGDX-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.94
Rot. Bonds2

About 2-(3-bromothiophen-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one

2-(3-bromothiophen-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 115380787) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
PubChem CID115380787
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC Name2-(3-bromothiophen-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2c(O)nc(-c3sccc3Br)[nH]c2=O)c1
InChIInChI=1S/C15H11BrN2O2S/c1-8-3-2-4-9(7-8)11-14(19)17-13(18-15(11)20)12-10(16)5-6-21-12/h2-7H,1H3,(H2,17,18,19,20)
InChIKeyPNOPZCQEESCGDX-UHFFFAOYSA-N
XLogP3.94
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromothiophen-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one (CID 115380787) is 2-(3-bromothiophen-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one is Cc1cccc(-c2c(O)nc(-c3sccc3Br)[nH]c2=O)c1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is PNOPZCQEESCGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c1-8-3-2-4-9(7-8)11-14(19)17-13(18-15(11)20)12-10(16)5-6-21-12/h2-7H,1H3,(H2,17,18,19,20).
What are the key properties of 2-(3-bromothiophen-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
2-(3-bromothiophen-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 363.24 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 115380787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).