5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one

C16H16N2OS — CID 2792004

IUPAC5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one
SMILESCCn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O
InChIInChI=1S/C16H16N2OS/c1-4-18-9-17-15-14(16(18)19)13(8-20-15)12-6-5-10(2)11(3)7-12/h5-9H,4H2,1-3H3
InChIKeyKHHOKNVVUYITPM-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.76
Rot. Bonds2

About 5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one

5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 2792004) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one
PubChem CID2792004
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one
SMILESCCn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O
InChIInChI=1S/C16H16N2OS/c1-4-18-9-17-15-14(16(18)19)13(8-20-15)12-6-5-10(2)11(3)7-12/h5-9H,4H2,1-3H3
InChIKeyKHHOKNVVUYITPM-UHFFFAOYSA-N
XLogP3.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 2792360
5-(3,4-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 16578954
3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7595329
5-(3,4-dimethylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 20999134
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-imino-4-methylpent-3-enyl)thieno[2,3-d]pyrimidin-4-one
CID 145141589
5-(3,4-dimethylphenyl)-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 8006059
5-(3,4-dimethylphenyl)-3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]thieno[2,3-d]pyrimidin-4-one
CID 24562605
5-(3,4-dimethylphenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 24571872
5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
CID 709146
N-(2,3-dimethylphenyl)-2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7595303
2-[5-(4-chloro-3-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28899617

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one (CID 2792004) is 5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one is CCn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O.
What is the InChIKey of 5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is KHHOKNVVUYITPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-4-18-9-17-15-14(16(18)19)13(8-20-15)12-6-5-10(2)11(3)7-12/h5-9H,4H2,1-3H3.
What are the key properties of 5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one?
5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 284.38 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2792004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).