5-(2-bromo-5-methylphenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one

C19H14BrN3OS — CID 28889155

IUPAC5-(2-bromo-5-methylphenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(Br)c(-c2c(C)sc3nc(-c4cccnc4)[nH]c(=O)c23)c1
InChIInChI=1S/C19H14BrN3OS/c1-10-5-6-14(20)13(8-10)15-11(2)25-19-16(15)18(24)22-17(23-19)12-4-3-7-21-9-12/h3-9H,1-2H3,(H,22,23,24)
InChIKeyDUHJSISCZSNLMT-UHFFFAOYSA-N
MW412.31 g/mol
LogP5.09
Rot. Bonds2

About 5-(2-bromo-5-methylphenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one

5-(2-bromo-5-methylphenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28889155) has the molecular formula C19H14BrN3OS and a molecular weight of 412.31 g/mol. Its IUPAC name is 5-(2-bromo-5-methylphenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-bromo-5-methylphenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28889155
Molecular FormulaC19H14BrN3OS
Molecular Weight412.31 g/mol
Exact Mass411.00
IUPAC Name5-(2-bromo-5-methylphenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(Br)c(-c2c(C)sc3nc(-c4cccnc4)[nH]c(=O)c23)c1
InChIInChI=1S/C19H14BrN3OS/c1-10-5-6-14(20)13(8-10)15-11(2)25-19-16(15)18(24)22-17(23-19)12-4-3-7-21-9-12/h3-9H,1-2H3,(H,22,23,24)
InChIKeyDUHJSISCZSNLMT-UHFFFAOYSA-N
XLogP5.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.31
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868599
5-(4-bromophenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889070
5-(3,4-dichlorophenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889177
5-(2-methoxy-5-methylphenyl)-6-methyl-2-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888892
5-(2-bromo-5-methylphenyl)-2-[(2-methoxyphenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890199
5-(2-methoxy-5-methylphenyl)-6-methyl-2-(2-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888740
5-(3,4-dichlorophenyl)-6-ethyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889183
2-pyridin-3-yl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 624915
2-(2-chlorophenyl)-5-(2-methoxy-5-methylphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868542
2-(2,6-difluorophenyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889437
5-(4-chloro-3-methylphenyl)-6-methyl-2-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888874
2-(2,6-difluorophenyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889421

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-methylphenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-bromo-5-methylphenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 28889155) is 5-(2-bromo-5-methylphenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-bromo-5-methylphenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-bromo-5-methylphenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1ccc(Br)c(-c2c(C)sc3nc(-c4cccnc4)[nH]c(=O)c23)c1.
What is the InChIKey of 5-(2-bromo-5-methylphenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is DUHJSISCZSNLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3OS/c1-10-5-6-14(20)13(8-10)15-11(2)25-19-16(15)18(24)22-17(23-19)12-4-3-7-21-9-12/h3-9H,1-2H3,(H,22,23,24).
What are the key properties of 5-(2-bromo-5-methylphenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(2-bromo-5-methylphenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 412.31 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-methylphenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28889155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).