3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one

C15H14N2OS — CID 51280236

IUPAC3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(C)c(Cn2cnc3ccsc3c2=O)c1
InChIInChI=1S/C15H14N2OS/c1-10-3-4-11(2)12(7-10)8-17-9-16-13-5-6-19-14(13)15(17)18/h3-7,9H,8H2,1-2H3
InChIKeyVHVKAUMMQMTHHE-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.12
Rot. Bonds2

About 3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one

3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 51280236) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID51280236
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(C)c(Cn2cnc3ccsc3c2=O)c1
InChIInChI=1S/C15H14N2OS/c1-10-3-4-11(2)12(7-10)8-17-9-16-13-5-6-19-14(13)15(17)18/h3-7,9H,8H2,1-2H3
InChIKeyVHVKAUMMQMTHHE-UHFFFAOYSA-N
XLogP3.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 43509260
3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33278584
3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33279473
3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47160423
3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 64768870
3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 62562895
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 39013477
7-(4-chlorophenyl)-3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 53035303
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 39014426
N-(2,4-dimethylphenyl)-N-[4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39013506
3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 18123502
3-[(4-iodophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 115650943

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 51280236) is 3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one is Cc1ccc(C)c(Cn2cnc3ccsc3c2=O)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is VHVKAUMMQMTHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-3-4-11(2)12(7-10)8-17-9-16-13-5-6-19-14(13)15(17)18/h3-7,9H,8H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 270.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 51280236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).