3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one

C14H12N2O2S — CID 33278584

IUPAC3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccccc1Cn1cnc2ccsc2c1=O
InChIInChI=1S/C14H12N2O2S/c1-18-12-5-3-2-4-10(12)8-16-9-15-11-6-7-19-13(11)14(16)17/h2-7,9H,8H2,1H3
InChIKeyWGUCSEDDFZELNQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.51
Rot. Bonds3

About 3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one

3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 33278584) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID33278584
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccccc1Cn1cnc2ccsc2c1=O
InChIInChI=1S/C14H12N2O2S/c1-18-12-5-3-2-4-10(12)8-16-9-15-11-6-7-19-13(11)14(16)17/h2-7,9H,8H2,1H3
InChIKeyWGUCSEDDFZELNQ-UHFFFAOYSA-N
XLogP2.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 43509260
5-deuterio-3-[(2-methoxyphenyl)methyl]quinazolin-4-one
CID 175898338
3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 51280236
3-[(3-methylquinoxalin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 18123502
3-[(2-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 10825717
3-[(4-iodophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 115650943
3-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47160423
3-[(4-amino-2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 64768870
3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 18123501
3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 18123516
3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 27065071
3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 62023205

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 33278584) is 3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one is COc1ccccc1Cn1cnc2ccsc2c1=O.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is WGUCSEDDFZELNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-18-12-5-3-2-4-10(12)8-16-9-15-11-6-7-19-13(11)14(16)17/h2-7,9H,8H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 272.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 33278584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).