5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one

C20H16N2OS — CID 8853237

IUPAC5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(/C=C/c3cccc4ccccc34)[nH]c(=O)c2c1C
InChIInChI=1S/C20H16N2OS/c1-12-13(2)24-20-18(12)19(23)21-17(22-20)11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-11H,1-2H3,(H,21,22,23)/b11-10+
InChIKeyCAGAUZDBIKGLIA-ZHACJKMWSA-N
MW332.43 g/mol
LogP4.93
Rot. Bonds2

About 5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 8853237) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID8853237
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(/C=C/c3cccc4ccccc34)[nH]c(=O)c2c1C
InChIInChI=1S/C20H16N2OS/c1-12-13(2)24-20-18(12)19(23)21-17(22-20)11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-11H,1-2H3,(H,21,22,23)/b11-10+
InChIKeyCAGAUZDBIKGLIA-ZHACJKMWSA-N
XLogP4.93
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

methyl 5-methyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 8586649
5,6-dimethyl-2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 13492244
5-[(E)-2-naphthalen-1-ylethenyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
CID 22830092
5,6-dimethyl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 8001496
2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one
CID 135471735
ethyl 5-methyl-4-oxo-2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7912614
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 8015022
5-methyl-4-oxo-2-[(E)-2-pyridin-2-ylethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 71304771
2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 8602204
5,6-dimethyl-2-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 167927036
2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 4876771
2-[1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 4883022

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 8853237) is 5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(/C=C/c3cccc4ccccc34)[nH]c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is CAGAUZDBIKGLIA-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-12-13(2)24-20-18(12)19(23)21-17(22-20)11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-11H,1-2H3,(H,21,22,23)/b11-10+.
What are the key properties of 5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 332.43 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 8853237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).