7-(4-methoxy-2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C19H15N3O2S — CID 137429382

IUPAC7-(4-methoxy-2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(C)c1
InChIInChI=1S/C19H15N3O2S/c1-11-9-12(24-2)6-7-13(11)14-10-25-17-16(14)21-18(22-19(17)23)15-5-3-4-8-20-15/h3-10H,1-2H3,(H,21,22,23)
InChIKeyHHEUNPCUHHSSRT-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.03
Rot. Bonds3

About 7-(4-methoxy-2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-(4-methoxy-2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429382) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 7-(4-methoxy-2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-methoxy-2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429382
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name7-(4-methoxy-2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(C)c1
InChIInChI=1S/C19H15N3O2S/c1-11-9-12(24-2)6-7-13(11)14-10-25-17-16(14)21-18(22-19(17)23)15-5-3-4-8-20-15/h3-10H,1-2H3,(H,21,22,23)
InChIKeyHHEUNPCUHHSSRT-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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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxy-2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(4-methoxy-2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429382) is 7-(4-methoxy-2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-methoxy-2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-methoxy-2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is COc1ccc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c(C)c1.
What is the InChIKey of 7-(4-methoxy-2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is HHEUNPCUHHSSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-11-9-12(24-2)6-7-13(11)14-10-25-17-16(14)21-18(22-19(17)23)15-5-3-4-8-20-15/h3-10H,1-2H3,(H,21,22,23).
What are the key properties of 7-(4-methoxy-2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(4-methoxy-2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-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 7-(4-methoxy-2-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).