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

C20H15ClN2OS — CID 30849827

IUPAC7-(3-chlorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccccc1Cn1cnc2c(-c3cccc(Cl)c3)csc2c1=O
InChIInChI=1S/C20H15ClN2OS/c1-13-5-2-3-6-15(13)10-23-12-22-18-17(11-25-19(18)20(23)24)14-7-4-8-16(21)9-14/h2-9,11-12H,10H2,1H3
InChIKeyBFNVOWMYHDIEAP-UHFFFAOYSA-N
MW366.87 g/mol
LogP5.14
Rot. Bonds3

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

7-(3-chlorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 30849827) has the molecular formula C20H15ClN2OS and a molecular weight of 366.87 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-chlorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID30849827
Molecular FormulaC20H15ClN2OS
Molecular Weight366.87 g/mol
Exact Mass366.06
IUPAC Name7-(3-chlorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccccc1Cn1cnc2c(-c3cccc(Cl)c3)csc2c1=O
InChIInChI=1S/C20H15ClN2OS/c1-13-5-2-3-6-15(13)10-23-12-22-18-17(11-25-19(18)20(23)24)14-7-4-8-16(21)9-14/h2-9,11-12H,10H2,1H3
InChIKeyBFNVOWMYHDIEAP-UHFFFAOYSA-N
XLogP5.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.87
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(3-chlorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 30849827) is 7-(3-chlorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-chlorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-chlorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one is Cc1ccccc1Cn1cnc2c(-c3cccc(Cl)c3)csc2c1=O.
What is the InChIKey of 7-(3-chlorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is BFNVOWMYHDIEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2OS/c1-13-5-2-3-6-15(13)10-23-12-22-18-17(11-25-19(18)20(23)24)14-7-4-8-16(21)9-14/h2-9,11-12H,10H2,1H3.
What are the key properties of 7-(3-chlorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
7-(3-chlorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 366.87 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 30849827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).