3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one

C16H16N2OS — CID 102685812

IUPAC3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1cc(C)cc(Cn2cnc3c(C)csc3c2=O)c1
InChIInChI=1S/C16H16N2OS/c1-10-4-11(2)6-13(5-10)7-18-9-17-14-12(3)8-20-15(14)16(18)19/h4-6,8-9H,7H2,1-3H3
InChIKeyKYGMWSBULOFCKR-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.43
Rot. Bonds2

About 3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one

3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 102685812) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID102685812
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1cc(C)cc(Cn2cnc3c(C)csc3c2=O)c1
InChIInChI=1S/C16H16N2OS/c1-10-4-11(2)6-13(5-10)7-18-9-17-14-12(3)8-20-15(14)16(18)19/h4-6,8-9H,7H2,1-3H3
InChIKeyKYGMWSBULOFCKR-UHFFFAOYSA-N
XLogP3.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685652
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685671
7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 146130098
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 135891005
7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 102685489
3-[(5-chlorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39804649
3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685639
7-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685782
3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 103054670
3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 102685310
3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one (CID 102685812) is 3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one is Cc1cc(C)cc(Cn2cnc3c(C)csc3c2=O)c1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is KYGMWSBULOFCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-10-4-11(2)6-13(5-10)7-18-9-17-14-12(3)8-20-15(14)16(18)19/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 284.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).