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

C17H18N2OS — CID 28868432

IUPAC5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCCc1nc2scc(-c3ccc(C)c(C)c3)c2c(=O)[nH]1
InChIInChI=1S/C17H18N2OS/c1-4-5-14-18-16(20)15-13(9-21-17(15)19-14)12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyPOSLWABIMPPRGL-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.22
Rot. Bonds3

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

5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28868432) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28868432
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCCc1nc2scc(-c3ccc(C)c(C)c3)c2c(=O)[nH]1
InChIInChI=1S/C17H18N2OS/c1-4-5-14-18-16(20)15-13(9-21-17(15)19-14)12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyPOSLWABIMPPRGL-UHFFFAOYSA-N
XLogP4.22
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868463
2-amino-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055590
3-[[5-(3,4-dimethylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 166185433
5-(3,4-dimethylphenyl)-2-[2-(2-methylfuran-3-yl)-2-oxoethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 60518493
N-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide
CID 75476661
5-(3,4-dimethylphenyl)-2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 167900925
5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868299
5-(3,4-dimethylphenyl)-2-[[(2-hydroxy-3-propan-2-yloxypropyl)-(2-methylpropyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 42839466
2-[[cyclohexyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]methyl]-5-(3,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 46018093
5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868331
2-(chloromethyl)-5-naphthalen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82064982
5-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 167847889

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 28868432) is 5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one is CCCc1nc2scc(-c3ccc(C)c(C)c3)c2c(=O)[nH]1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is POSLWABIMPPRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-4-5-14-18-16(20)15-13(9-21-17(15)19-14)12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 298.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28868432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).