5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one

C15H14N2OS — CID 930144

IUPAC5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1cccc(-n2cnc3sc(C)c(C)c3c2=O)c1
InChIInChI=1S/C15H14N2OS/c1-9-5-4-6-12(7-9)17-8-16-14-13(15(17)18)10(2)11(3)19-14/h4-8H,1-3H3
InChIKeyNFTPSECQLUBEKN-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.37
Rot. Bonds1

About 5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 930144) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID930144
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1cccc(-n2cnc3sc(C)c(C)c3c2=O)c1
InChIInChI=1S/C15H14N2OS/c1-9-5-4-6-12(7-9)17-8-16-14-13(15(17)18)10(2)11(3)19-14/h4-8H,1-3H3
InChIKeyNFTPSECQLUBEKN-UHFFFAOYSA-N
XLogP3.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
3-[(E)-(3-chlorophenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 42992186
N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide
CID 2425616
3-tert-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245053
5,6-dimethyl-2-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]sulfanyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 39964266
5,6-dimethyl-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one
CID 19245041
3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 135770657
5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 6863326
N-(2,6-diethylphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1078246
3-[(Z)-furan-2-ylmethylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 5450773
3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 102735011
3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 734927

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one (CID 930144) is 5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one is Cc1cccc(-n2cnc3sc(C)c(C)c3c2=O)c1.
What is the InChIKey of 5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is NFTPSECQLUBEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-9-5-4-6-12(7-9)17-8-16-14-13(15(17)18)10(2)11(3)19-14/h4-8H,1-3H3.
What are the key properties of 5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 270.36 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 930144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).