3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C17H18N2OS — CID 734927

IUPAC3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1ccc(Cn2cnc3sc(C)c(C)c3c2=O)cc1
InChIInChI=1S/C17H18N2OS/c1-4-13-5-7-14(8-6-13)9-19-10-18-16-15(17(19)20)11(2)12(3)21-16/h5-8,10H,4,9H2,1-3H3
InChIKeyMQBJFYMJHLVPHW-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.69
Rot. Bonds3

About 3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 734927) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID734927
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1ccc(Cn2cnc3sc(C)c(C)c3c2=O)cc1
InChIInChI=1S/C17H18N2OS/c1-4-13-5-7-14(8-6-13)9-19-10-18-16-15(17(19)20)11(2)12(3)21-16/h5-8,10H,4,9H2,1-3H3
InChIKeyMQBJFYMJHLVPHW-UHFFFAOYSA-N
XLogP3.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 49151163
4-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 167838748
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-[2-(2,5-diethylphenyl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 7629930
propan-2-yl 3-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate
CID 7729770
ethyl 3-[(6-chloro-3-pyridinyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 38924545
3-[(4-carboxylatophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 7710170
3-benzyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 724930
3-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7673676
3-[2-(dimethylamino)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245056
ethyl 5-methyl-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 4281945
3-[(2-chloroquinolin-3-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 7885759

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 734927) is 3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is CCc1ccc(Cn2cnc3sc(C)c(C)c3c2=O)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is MQBJFYMJHLVPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-4-13-5-7-14(8-6-13)9-19-10-18-16-15(17(19)20)11(2)12(3)21-16/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 298.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 734927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).