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

C22H20N2O2S — CID 16578954

IUPAC5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)cc1
InChIInChI=1S/C22H20N2O2S/c1-14-4-7-17(10-15(14)2)19-12-27-21-20(19)22(25)24(13-23-21)11-16-5-8-18(26-3)9-6-16/h4-10,12-13H,11H2,1-3H3
InChIKeyDPYBNSWUAIITHL-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.80
Rot. Bonds4

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

5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 16578954) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID16578954
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)cc1
InChIInChI=1S/C22H20N2O2S/c1-14-4-7-17(10-15(14)2)19-12-27-21-20(19)22(25)24(13-23-21)11-16-5-8-18(26-3)9-6-16/h4-10,12-13H,11H2,1-3H3
InChIKeyDPYBNSWUAIITHL-UHFFFAOYSA-N
XLogP4.80
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one
CID 2792004
5-(3,4-dimethylphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 17494379
5-(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 992638
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7595330
5-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 2792360
5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 7629248
5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 24571872
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-(2,4-dichlorophenyl)-2-oxoethyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 40859825
5-(3,4-dimethylphenyl)-3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]thieno[2,3-d]pyrimidin-4-one
CID 24562605
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40883398

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one (CID 16578954) is 5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one is COc1ccc(Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)cc1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is DPYBNSWUAIITHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-14-4-7-17(10-15(14)2)19-12-27-21-20(19)22(25)24(13-23-21)11-16-5-8-18(26-3)9-6-16/h4-10,12-13H,11H2,1-3H3.
What are the key properties of 5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 376.48 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 16578954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).