6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one

C13H11N3OS — CID 84592320

IUPAC6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(Cc3ccccn3)cnc2s1
InChIInChI=1S/C13H11N3OS/c1-9-6-11-12(18-9)15-8-16(13(11)17)7-10-4-2-3-5-14-10/h2-6,8H,7H2,1H3
InChIKeyVKIQKTRSQCCNKC-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.21
Rot. Bonds2

About 6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one

6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 84592320) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID84592320
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(Cc3ccccn3)cnc2s1
InChIInChI=1S/C13H11N3OS/c1-9-6-11-12(18-9)15-8-16(13(11)17)7-10-4-2-3-5-14-10/h2-6,8H,7H2,1H3
InChIKeyVKIQKTRSQCCNKC-UHFFFAOYSA-N
XLogP2.21
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118280400
3-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 166301450
3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one
CID 91650448
6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 144895692
1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 653837
3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one
CID 39760848
8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one
CID 59242565
propan-2-yl 4-[(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 735009
7-methoxy-3-(pyridin-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one
CID 938408
3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 39826511
3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118286876
6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 82147197

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one (CID 84592320) is 6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)n(Cc3ccccn3)cnc2s1.
What is the InChIKey of 6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is VKIQKTRSQCCNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-9-6-11-12(18-9)15-8-16(13(11)17)7-10-4-2-3-5-14-10/h2-6,8H,7H2,1H3.
What are the key properties of 6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one?
6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 257.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 84592320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).