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

C18H13N3OS — CID 2556330

IUPAC5-(4-methylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(-c4ccncc4)[nH]c(=O)c23)cc1
InChIInChI=1S/C18H13N3OS/c1-11-2-4-12(5-3-11)14-10-23-18-15(14)17(22)20-16(21-18)13-6-8-19-9-7-13/h2-10H,1H3,(H,20,21,22)
InChIKeyNKODGVKAWVXXKY-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.02
Rot. Bonds2

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

5-(4-methylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2556330) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2556330
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name5-(4-methylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc(-c4ccncc4)[nH]c(=O)c23)cc1
InChIInChI=1S/C18H13N3OS/c1-11-2-4-12(5-3-11)14-10-23-18-15(14)17(22)20-16(21-18)13-6-8-19-9-7-13/h2-10H,1H3,(H,20,21,22)
InChIKeyNKODGVKAWVXXKY-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide
CID 2886111
Benzothienopyrimidinone deriv., 16a
CID 135927963
2-amino-6-ethyl-5-(4-pyridylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 44221347
3-Ethyl-2-(Propan-2-Ylamino)-7-(Pyridin-3-Yl)thieno[3,2-D]pyrimidin-4(3h)-One
CID 91667427
8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one
CID 155818515
6-methyl-5-phenyl-2-(pyridin-3-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 852962
N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)pyridine-4-carboxamide
CID 897174
6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2106365
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pyridine-3-carboxamide
CID 2164985
2-(2,2-dimethylpropanoylamino)-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2174274
6-methyl-N-2-pyridinyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2970481
3-[(4-pyridinylmethylene)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CID 6858440

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-methylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 2556330) is 5-(4-methylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-methylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-methylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3nc(-c4ccncc4)[nH]c(=O)c23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is NKODGVKAWVXXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c1-11-2-4-12(5-3-11)14-10-23-18-15(14)17(22)20-16(21-18)13-6-8-19-9-7-13/h2-10H,1H3,(H,20,21,22).
What are the key properties of 5-(4-methylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-methylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 319.39 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2556330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).