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

C19H15N3OS — CID 53035229

IUPAC7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3c(=O)n(Cc4cccnc4)cnc23)cc1
InChIInChI=1S/C19H15N3OS/c1-13-4-6-15(7-5-13)16-11-24-18-17(16)21-12-22(19(18)23)10-14-3-2-8-20-9-14/h2-9,11-12H,10H2,1H3
InChIKeyBIGNYCWTALYCMM-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.88
Rot. Bonds3

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

7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 53035229) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID53035229
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3c(=O)n(Cc4cccnc4)cnc23)cc1
InChIInChI=1S/C19H15N3OS/c1-13-4-6-15(7-5-13)16-11-24-18-17(16)21-12-22(19(18)23)10-14-3-2-8-20-9-14/h2-9,11-12H,10H2,1H3
InChIKeyBIGNYCWTALYCMM-UHFFFAOYSA-N
XLogP3.88
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one (CID 53035229) is 7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one is Cc1ccc(-c2csc3c(=O)n(Cc4cccnc4)cnc23)cc1.
What is the InChIKey of 7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is BIGNYCWTALYCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-13-4-6-15(7-5-13)16-11-24-18-17(16)21-12-22(19(18)23)10-14-3-2-8-20-9-14/h2-9,11-12H,10H2,1H3.
What are the key properties of 7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one?
7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 333.42 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 53035229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).