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

C19H15N3O2S — CID 28889030

IUPAC5-(2-methoxy-5-methylphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(C)cc1-c1csc2nc(-c3ccccn3)[nH]c(=O)c12
InChIInChI=1S/C19H15N3O2S/c1-11-6-7-15(24-2)12(9-11)13-10-25-19-16(13)18(23)21-17(22-19)14-5-3-4-8-20-14/h3-10H,1-2H3,(H,21,22,23)
InChIKeyMMKZKSDEYOZUNQ-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.03
Rot. Bonds3

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

5-(2-methoxy-5-methylphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28889030) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 5-(2-methoxy-5-methylphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-methoxy-5-methylphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28889030
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name5-(2-methoxy-5-methylphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(C)cc1-c1csc2nc(-c3ccccn3)[nH]c(=O)c12
InChIInChI=1S/C19H15N3O2S/c1-11-6-7-15(24-2)12(9-11)13-10-25-19-16(13)18(23)21-17(22-19)14-5-3-4-8-20-14/h3-10H,1-2H3,(H,21,22,23)
InChIKeyMMKZKSDEYOZUNQ-UHFFFAOYSA-N
XLogP4.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-methoxy-2,5-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429786
2-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxy-5-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890011
2-[[5-(2-methoxy-5-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetic acid
CID 28899557
5-(2-methoxy-5-methylphenyl)-6-methyl-2-(2-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888740
5-(2-methoxy-5-methylphenyl)-6-methyl-2-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888892
2-(2-chlorophenyl)-5-(2-methoxy-5-methylphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868542
N-(2-methoxyphenyl)-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28888917
7-[4-(2-methoxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 162000609
6-methyl-2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888998
2-methoxyethyl 5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 28888962
2-[1-(2-methoxy-5-methylanilino)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 4884624
2-(2-methoxy-5-methylphenyl)-4-phenyl-1,3-thiazole
CID 142708637

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-methylphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-methoxy-5-methylphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 28889030) is 5-(2-methoxy-5-methylphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-methoxy-5-methylphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-methoxy-5-methylphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is COc1ccc(C)cc1-c1csc2nc(-c3ccccn3)[nH]c(=O)c12.
What is the InChIKey of 5-(2-methoxy-5-methylphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is MMKZKSDEYOZUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-11-6-7-15(24-2)12(9-11)13-10-25-19-16(13)18(23)21-17(22-19)14-5-3-4-8-20-14/h3-10H,1-2H3,(H,21,22,23).
What are the key properties of 5-(2-methoxy-5-methylphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(2-methoxy-5-methylphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 349.42 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-5-methylphenyl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28889030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).