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

C18H20N2OS — CID 28868463

IUPAC5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCCc1nc2scc(-c3ccc(C(C)C)cc3)c2c(=O)[nH]1
InChIInChI=1S/C18H20N2OS/c1-4-5-15-19-17(21)16-14(10-22-18(16)20-15)13-8-6-12(7-9-13)11(2)3/h6-11H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyZMNUUOVDJMNIEN-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.73
Rot. Bonds4

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

5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28868463) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28868463
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCCc1nc2scc(-c3ccc(C(C)C)cc3)c2c(=O)[nH]1
InChIInChI=1S/C18H20N2OS/c1-4-5-15-19-17(21)16-14(10-22-18(16)20-15)13-8-6-12(7-9-13)11(2)3/h6-11H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyZMNUUOVDJMNIEN-UHFFFAOYSA-N
XLogP4.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890522
2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890377
5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868432
2-methylsulfanyl-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 7576180
5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868299
5-(4-chlorophenyl)-2-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 31622793
N-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide
CID 75476661
2-[(3-methylphenyl)methylsulfanyl]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 40517093
5-(4-chlorophenyl)-2-[[[(2S)-2-hydroxypentyl]-propan-2-ylamino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 93195126
2-butylsulfanyl-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 7309625
5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 82098425
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 40915156

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 28868463) is 5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one is CCCc1nc2scc(-c3ccc(C(C)C)cc3)c2c(=O)[nH]1.
What is the InChIKey of 5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZMNUUOVDJMNIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-4-5-15-19-17(21)16-14(10-22-18(16)20-15)13-8-6-12(7-9-13)11(2)3/h6-11H,4-5H2,1-3H3,(H,19,20,21).
What are the key properties of 5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 312.44 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28868463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).