5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione

C15H14N2O2S — CID 82098425

IUPAC5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1ccc(-c2csc3[nH]c(=O)[nH]c(=O)c23)cc1
InChIInChI=1S/C15H14N2O2S/c1-8(2)9-3-5-10(6-4-9)11-7-20-14-12(11)13(18)16-15(19)17-14/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKeyKNMQKMDORXAJEN-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.07
Rot. Bonds2

About 5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione

5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 82098425) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID82098425
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1ccc(-c2csc3[nH]c(=O)[nH]c(=O)c23)cc1
InChIInChI=1S/C15H14N2O2S/c1-8(2)9-3-5-10(6-4-9)11-7-20-14-12(11)13(18)16-15(19)17-14/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKeyKNMQKMDORXAJEN-UHFFFAOYSA-N
XLogP3.07
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 7576180
5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868463
2-benzyl-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890522
5-(4-bromophenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 760037
2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890377
5-(3,4-dimethylphenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 4962382
2-[(3-methylphenyl)methylsulfanyl]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 40517093
4-hydroxy-3,5-bis(4-hydroxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
CID 66936310
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 40915156
7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
CID 19100767
N-(4-methoxyphenyl)-2-[[4-oxo-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanamide
CID 44641694
N,N-dimethyl-N'-[4-oxo-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]methanimidamide
CID 3531776

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 82098425) is 5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione is CC(C)c1ccc(-c2csc3[nH]c(=O)[nH]c(=O)c23)cc1.
What is the InChIKey of 5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KNMQKMDORXAJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-8(2)9-3-5-10(6-4-9)11-7-20-14-12(11)13(18)16-15(19)17-14/h3-8H,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione?
5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 286.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 82098425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).