3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C18H11ClN2O2S — CID 2348091

IUPAC3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2scc(-c3ccccc3)c2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C18H11ClN2O2S/c19-12-7-4-8-13(9-12)21-17(22)15-14(11-5-2-1-3-6-11)10-24-16(15)20-18(21)23/h1-10H,(H,20,23)
InChIKeyRJNJODRAWQARHU-UHFFFAOYSA-N
MW354.82 g/mol
LogP4.06
Rot. Bonds2

About 3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 2348091) has the molecular formula C18H11ClN2O2S and a molecular weight of 354.82 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID2348091
Molecular FormulaC18H11ClN2O2S
Molecular Weight354.82 g/mol
Exact Mass354.02
IUPAC Name3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2scc(-c3ccccc3)c2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C18H11ClN2O2S/c19-12-7-4-8-13(9-12)21-17(22)15-14(11-5-2-1-3-6-11)10-24-16(15)20-18(21)23/h1-10H,(H,20,23)
InChIKeyRJNJODRAWQARHU-UHFFFAOYSA-N
XLogP4.06
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 2348091) is 3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c2scc(-c3ccccc3)c2c(=O)n1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RJNJODRAWQARHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2S/c19-12-7-4-8-13(9-12)21-17(22)15-14(11-5-2-1-3-6-11)10-24-16(15)20-18(21)23/h1-10H,(H,20,23).
What are the key properties of 3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 354.82 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2348091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).