5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione

C19H12ClN3O3S — CID 2101059

IUPAC5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione
SMILESNc1c(C(=O)c2ccc(Cl)cc2)sc2c1c(=O)[nH]c(=O)n2-c1ccccc1
InChIInChI=1S/C19H12ClN3O3S/c20-11-8-6-10(7-9-11)15(24)16-14(21)13-17(25)22-19(26)23(18(13)27-16)12-4-2-1-3-5-12/h1-9H,21H2,(H,22,25,26)
InChIKeyCUQUHBIPXJNCAZ-UHFFFAOYSA-N
MW397.84 g/mol
LogP3.21
Rot. Bonds3

About 5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione

5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 2101059) has the molecular formula C19H12ClN3O3S and a molecular weight of 397.84 g/mol. Its IUPAC name is 5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID2101059
Molecular FormulaC19H12ClN3O3S
Molecular Weight397.84 g/mol
Exact Mass397.03
IUPAC Name5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione
SMILESNc1c(C(=O)c2ccc(Cl)cc2)sc2c1c(=O)[nH]c(=O)n2-c1ccccc1
InChIInChI=1S/C19H12ClN3O3S/c20-11-8-6-10(7-9-11)15(24)16-14(21)13-17(25)22-19(26)23(18(13)27-16)12-4-2-1-3-5-12/h1-9H,21H2,(H,22,25,26)
InChIKeyCUQUHBIPXJNCAZ-UHFFFAOYSA-N
XLogP3.21
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Acetylphenyl)-5-amino-6-(4-chlorobenzoyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 2101054
5-Amino-6-benzoyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione
CID 2101058
5-Amino-6-(4-methylbenzoyl)-1-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 2123729
4-amino-5-benzoyl-N-(4-chlorophenyl)-2-(4-methylanilino)thiophene-3-carboxamide
CID 4660041
1-[2-(4-chlorophenyl)-2-oxoethyl]-5,6-dimethyl-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
CID 15989048
6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 134815902
1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(4-ethylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
CID 15989145
3-benzyl-6-(4-chlorophenyl)-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 167495682
3-(4-chlorophenyl)-1-(2-oxo-2-phenylethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
CID 1973687
7-acetyl-1-[2-(4-chlorophenyl)-2-oxoethyl]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 16010510
5-Amino-6-(4-chlorobenzoyl)-1-(2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 2101049
4-Amino-5-(4-chlorobenzoyl)-2-(3-methylanilino)thiophene-3-carboxamide
CID 4660333

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione (CID 2101059) is 5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione is Nc1c(C(=O)c2ccc(Cl)cc2)sc2c1c(=O)[nH]c(=O)n2-c1ccccc1.
What is the InChIKey of 5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CUQUHBIPXJNCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O3S/c20-11-8-6-10(7-9-11)15(24)16-14(21)13-17(25)22-19(26)23(18(13)27-16)12-4-2-1-3-5-12/h1-9H,21H2,(H,22,25,26).
What are the key properties of 5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione?
5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 397.84 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-chlorobenzoyl)-1-phenylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2101059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).