3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one

C14H11ClN2OS — CID 102685652

IUPAC3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(Cc3cccc(Cl)c3)cnc12
InChIInChI=1S/C14H11ClN2OS/c1-9-7-19-13-12(9)16-8-17(14(13)18)6-10-3-2-4-11(15)5-10/h2-5,7-8H,6H2,1H3
InChIKeySFNGBVPNXYXXNT-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.47
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one

3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 102685652) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID102685652
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(Cc3cccc(Cl)c3)cnc12
InChIInChI=1S/C14H11ClN2OS/c1-9-7-19-13-12(9)16-8-17(14(13)18)6-10-3-2-4-11(15)5-10/h2-5,7-8H,6H2,1H3
InChIKeySFNGBVPNXYXXNT-UHFFFAOYSA-N
XLogP3.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685639
3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685812
3-[(5-chlorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39804649
3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 27065071
7-(3-chlorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 30849827
3-[(3-chlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66339985
3-[(5-chloropyrazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 103054670
1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826
3-[(2-amino-6-bromophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685256
7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685622
7-(3-methylphenyl)-3-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 51364671
7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 146130098

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one (CID 102685652) is 3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)n(Cc3cccc(Cl)c3)cnc12.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is SFNGBVPNXYXXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-9-7-19-13-12(9)16-8-17(14(13)18)6-10-3-2-4-11(15)5-10/h2-5,7-8H,6H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 290.78 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).