7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one

C14H13N3OS — CID 102685622

IUPAC7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CCc3cccnc3)cnc12
InChIInChI=1S/C14H13N3OS/c1-10-8-19-13-12(10)16-9-17(14(13)18)6-4-11-3-2-5-15-7-11/h2-3,5,7-9H,4,6H2,1H3
InChIKeyOGOBXTZPMRRLQN-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.40
Rot. Bonds3

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

7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 102685622) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID102685622
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CCc3cccnc3)cnc12
InChIInChI=1S/C14H13N3OS/c1-10-8-19-13-12(10)16-9-17(14(13)18)6-4-11-3-2-5-15-7-11/h2-3,5,7-9H,4,6H2,1H3
InChIKeyOGOBXTZPMRRLQN-UHFFFAOYSA-N
XLogP2.40
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 53035229
3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714
3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685812
3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685652
7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one
CID 102685683
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685639
7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 39796713
3-[2-(4-fluoroanilino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685564
7-methyl-3-[(3-propylimidazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 102685676
6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 171916232

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one (CID 102685622) is 7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)n(CCc3cccnc3)cnc12.
What is the InChIKey of 7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is OGOBXTZPMRRLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-8-19-13-12(10)16-9-17(14(13)18)6-4-11-3-2-5-15-7-11/h2-3,5,7-9H,4,6H2,1H3.
What are the key properties of 7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one?
7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 271.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).