1-[(4-ethenylphenyl)methyl]-3-methylthieno[3,2-d]pyrimidine-2,4-dione

C16H14N2O2S — CID 6486591

IUPAC1-[(4-ethenylphenyl)methyl]-3-methylthieno[3,2-d]pyrimidine-2,4-dione
SMILESC=Cc1ccc(Cn2c(=O)n(C)c(=O)c3sccc32)cc1
InChIInChI=1S/C16H14N2O2S/c1-3-11-4-6-12(7-5-11)10-18-13-8-9-21-14(13)15(19)17(2)16(18)20/h3-9H,1,10H2,2H3
InChIKeyJQQSTMSVTDOSCA-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.45
Rot. Bonds3

About 1-[(4-ethenylphenyl)methyl]-3-methylthieno[3,2-d]pyrimidine-2,4-dione

1-[(4-ethenylphenyl)methyl]-3-methylthieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 6486591) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-[(4-ethenylphenyl)methyl]-3-methylthieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-ethenylphenyl)methyl]-3-methylthieno[3,2-d]pyrimidine-2,4-dione
PubChem CID6486591
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name1-[(4-ethenylphenyl)methyl]-3-methylthieno[3,2-d]pyrimidine-2,4-dione
SMILESC=Cc1ccc(Cn2c(=O)n(C)c(=O)c3sccc32)cc1
InChIInChI=1S/C16H14N2O2S/c1-3-11-4-6-12(7-5-11)10-18-13-8-9-21-14(13)15(19)17(2)16(18)20/h3-9H,1,10H2,2H3
InChIKeyJQQSTMSVTDOSCA-UHFFFAOYSA-N
XLogP2.45
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylphenyl)methyl]-3-methylthieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(4-ethenylphenyl)methyl]-3-methylthieno[3,2-d]pyrimidine-2,4-dione (CID 6486591) is 1-[(4-ethenylphenyl)methyl]-3-methylthieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-ethenylphenyl)methyl]-3-methylthieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-ethenylphenyl)methyl]-3-methylthieno[3,2-d]pyrimidine-2,4-dione is C=Cc1ccc(Cn2c(=O)n(C)c(=O)c3sccc32)cc1.
What is the InChIKey of 1-[(4-ethenylphenyl)methyl]-3-methylthieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is JQQSTMSVTDOSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-3-11-4-6-12(7-5-11)10-18-13-8-9-21-14(13)15(19)17(2)16(18)20/h3-9H,1,10H2,2H3.
What are the key properties of 1-[(4-ethenylphenyl)methyl]-3-methylthieno[3,2-d]pyrimidine-2,4-dione?
1-[(4-ethenylphenyl)methyl]-3-methylthieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 298.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylphenyl)methyl]-3-methylthieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 6486591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).