5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one

C23H22N2OS — CID 7629248

IUPAC5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3ncn(Cc4ccc(C(C)C)cc4)c(=O)c23)cc1
InChIInChI=1S/C23H22N2OS/c1-15(2)18-10-6-17(7-11-18)12-25-14-24-22-21(23(25)26)20(13-27-22)19-8-4-16(3)5-9-19/h4-11,13-15H,12H2,1-3H3
InChIKeyGAPQYQPPAHXAPY-UHFFFAOYSA-N
MW374.51 g/mol
LogP5.61
Rot. Bonds4

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

5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 7629248) has the molecular formula C23H22N2OS and a molecular weight of 374.51 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID7629248
Molecular FormulaC23H22N2OS
Molecular Weight374.51 g/mol
Exact Mass374.15
IUPAC Name5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3ncn(Cc4ccc(C(C)C)cc4)c(=O)c23)cc1
InChIInChI=1S/C23H22N2OS/c1-15(2)18-10-6-17(7-11-18)12-25-14-24-22-21(23(25)26)20(13-27-22)19-8-4-16(3)5-9-19/h4-11,13-15H,12H2,1-3H3
InChIKeyGAPQYQPPAHXAPY-UHFFFAOYSA-N
XLogP5.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromophenyl)methyl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 2076427
3-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7673676
3-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7629149
3-benzyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 724930
propan-2-yl 2-[4-oxo-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]acetate
CID 1404740
5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
CID 709146
3-[(3-chlorophenyl)methyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7673679
5-(4-chlorophenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 1191816
3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 166235559
5-(4-methylphenyl)-3-[(3-phenoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 40873205
5-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one
CID 24674180
2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N,N-di(propan-2-yl)acetamide
CID 7875461

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one (CID 7629248) is 5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3ncn(Cc4ccc(C(C)C)cc4)c(=O)c23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GAPQYQPPAHXAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2OS/c1-15(2)18-10-6-17(7-11-18)12-25-14-24-22-21(23(25)26)20(13-27-22)19-8-4-16(3)5-9-19/h4-11,13-15H,12H2,1-3H3.
What are the key properties of 5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 374.51 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7629248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).