2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one

C12H9ClN2OS — CID 136509859

IUPAC2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccc(Cl)c2)nc2c1SCC2
InChIInChI=1S/C12H9ClN2OS/c13-8-3-1-2-7(6-8)11-14-9-4-5-17-10(9)12(16)15-11/h1-3,6H,4-5H2,(H,14,15,16)
InChIKeyIHYNVPVRRBPSFT-UHFFFAOYSA-N
MW264.74 g/mol
LogP2.74
Rot. Bonds1

About 2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one

2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136509859) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136509859
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccc(Cl)c2)nc2c1SCC2
InChIInChI=1S/C12H9ClN2OS/c13-8-3-1-2-7(6-8)11-14-9-4-5-17-10(9)12(16)15-11/h1-3,6H,4-5H2,(H,14,15,16)
InChIKeyIHYNVPVRRBPSFT-UHFFFAOYSA-N
XLogP2.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135957060
4-(chloromethyl)-2-(3-chlorophenyl)-1H-pyrimidin-6-one
CID 135978468
5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one
CID 79431425
4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one
CID 135453967
2-[4-[[2-(3-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]phenyl]acetamide
CID 158080417
5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588453
2-(3-chlorophenyl)-7-[(3-chlorophenyl)methyl]-1H-purin-6-one
CID 135709102
6-(3-chlorobenzoyl)-2-(3-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622545
8-(3-chlorophenyl)-3-methyl-7H-purine-2,6-dione
CID 112688099
2-(3-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one
CID 136921562
6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine
CID 24973249
5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 79431640

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one (CID 136509859) is 2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]c(-c2cccc(Cl)c2)nc2c1SCC2.
What is the InChIKey of 2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is IHYNVPVRRBPSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c13-8-3-1-2-7(6-8)11-14-9-4-5-17-10(9)12(16)15-11/h1-3,6H,4-5H2,(H,14,15,16).
What are the key properties of 2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one?
2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 264.74 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136509859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).