6-(4-chlorophenyl)-5-methyl-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C19H13ClN2O2S — CID 167495680

IUPAC6-(4-chlorophenyl)-5-methyl-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(-c2ccc(Cl)cc2)sc2[nH]c(=O)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C19H13ClN2O2S/c1-11-15-17(25-16(11)12-7-9-13(20)10-8-12)21-19(24)22(18(15)23)14-5-3-2-4-6-14/h2-10H,1H3,(H,21,24)
InChIKeyWJGPPCJTJYTDKB-UHFFFAOYSA-N
MW368.85 g/mol
LogP4.37
Rot. Bonds2

About 6-(4-chlorophenyl)-5-methyl-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

6-(4-chlorophenyl)-5-methyl-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 167495680) has the molecular formula C19H13ClN2O2S and a molecular weight of 368.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-methyl-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-methyl-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID167495680
Molecular FormulaC19H13ClN2O2S
Molecular Weight368.85 g/mol
Exact Mass368.04
IUPAC Name6-(4-chlorophenyl)-5-methyl-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1c(-c2ccc(Cl)cc2)sc2[nH]c(=O)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C19H13ClN2O2S/c1-11-15-17(25-16(11)12-7-9-13(20)10-8-12)21-19(24)22(18(15)23)14-5-3-2-4-6-14/h2-10H,1H3,(H,21,24)
InChIKeyWJGPPCJTJYTDKB-UHFFFAOYSA-N
XLogP4.37
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-methyl-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(4-chlorophenyl)-5-methyl-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 167495680) is 6-(4-chlorophenyl)-5-methyl-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-5-methyl-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-chlorophenyl)-5-methyl-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is Cc1c(-c2ccc(Cl)cc2)sc2[nH]c(=O)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 6-(4-chlorophenyl)-5-methyl-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WJGPPCJTJYTDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2S/c1-11-15-17(25-16(11)12-7-9-13(20)10-8-12)21-19(24)22(18(15)23)14-5-3-2-4-6-14/h2-10H,1H3,(H,21,24).
What are the key properties of 6-(4-chlorophenyl)-5-methyl-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
6-(4-chlorophenyl)-5-methyl-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 368.85 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-methyl-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 167495680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).