3-(2-chlorophenyl)-2-[1-(dimethylamino)ethenyl]thieno[3,2-d]pyrimidin-4-one

C16H14ClN3OS — CID 22347408

IUPAC3-(2-chlorophenyl)-2-[1-(dimethylamino)ethenyl]thieno[3,2-d]pyrimidin-4-one
SMILESC=C(c1nc2ccsc2c(=O)n1-c1ccccc1Cl)N(C)C
InChIInChI=1S/C16H14ClN3OS/c1-10(19(2)3)15-18-12-8-9-22-14(12)16(21)20(15)13-7-5-4-6-11(13)17/h4-9H,1H2,2-3H3
InChIKeyHUDUYDKWVKVKFB-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.63
Rot. Bonds3

About 3-(2-chlorophenyl)-2-[1-(dimethylamino)ethenyl]thieno[3,2-d]pyrimidin-4-one

3-(2-chlorophenyl)-2-[1-(dimethylamino)ethenyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 22347408) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-[1-(dimethylamino)ethenyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-[1-(dimethylamino)ethenyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID22347408
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name3-(2-chlorophenyl)-2-[1-(dimethylamino)ethenyl]thieno[3,2-d]pyrimidin-4-one
SMILESC=C(c1nc2ccsc2c(=O)n1-c1ccccc1Cl)N(C)C
InChIInChI=1S/C16H14ClN3OS/c1-10(19(2)3)15-18-12-8-9-22-14(12)16(21)20(15)13-7-5-4-6-11(13)17/h4-9H,1H2,2-3H3
InChIKeyHUDUYDKWVKVKFB-UHFFFAOYSA-N
XLogP3.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-[1-(dimethylamino)ethenyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-chlorophenyl)-2-[1-(dimethylamino)ethenyl]thieno[3,2-d]pyrimidin-4-one (CID 22347408) is 3-(2-chlorophenyl)-2-[1-(dimethylamino)ethenyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-2-[1-(dimethylamino)ethenyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-2-[1-(dimethylamino)ethenyl]thieno[3,2-d]pyrimidin-4-one is C=C(c1nc2ccsc2c(=O)n1-c1ccccc1Cl)N(C)C.
What is the InChIKey of 3-(2-chlorophenyl)-2-[1-(dimethylamino)ethenyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is HUDUYDKWVKVKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c1-10(19(2)3)15-18-12-8-9-22-14(12)16(21)20(15)13-7-5-4-6-11(13)17/h4-9H,1H2,2-3H3.
What are the key properties of 3-(2-chlorophenyl)-2-[1-(dimethylamino)ethenyl]thieno[3,2-d]pyrimidin-4-one?
3-(2-chlorophenyl)-2-[1-(dimethylamino)ethenyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 331.83 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-[1-(dimethylamino)ethenyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 22347408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).