5-amino-6-benzoyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione

C19H13N3O3S — CID 2101058

IUPAC5-amino-6-benzoyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione
SMILESNc1c(C(=O)c2ccccc2)sc2c1c(=O)[nH]c(=O)n2-c1ccccc1
InChIInChI=1S/C19H13N3O3S/c20-14-13-17(24)21-19(25)22(12-9-5-2-6-10-12)18(13)26-16(14)15(23)11-7-3-1-4-8-11/h1-10H,20H2,(H,21,24,25)
InChIKeyCXGZRZISPSXHBJ-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.55
Rot. Bonds3

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

5-amino-6-benzoyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 2101058) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 5-amino-6-benzoyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-benzoyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID2101058
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC Name5-amino-6-benzoyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione
SMILESNc1c(C(=O)c2ccccc2)sc2c1c(=O)[nH]c(=O)n2-c1ccccc1
InChIInChI=1S/C19H13N3O3S/c20-14-13-17(24)21-19(25)22(12-9-5-2-6-10-12)18(13)26-16(14)15(23)11-7-3-1-4-8-11/h1-10H,20H2,(H,21,24,25)
InChIKeyCXGZRZISPSXHBJ-UHFFFAOYSA-N
XLogP2.55
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-benzoyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-benzoyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione (CID 2101058) is 5-amino-6-benzoyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-benzoyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-benzoyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione is Nc1c(C(=O)c2ccccc2)sc2c1c(=O)[nH]c(=O)n2-c1ccccc1.
What is the InChIKey of 5-amino-6-benzoyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CXGZRZISPSXHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c20-14-13-17(24)21-19(25)22(12-9-5-2-6-10-12)18(13)26-16(14)15(23)11-7-3-1-4-8-11/h1-10H,20H2,(H,21,24,25).
What are the key properties of 5-amino-6-benzoyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione?
5-amino-6-benzoyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 363.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-benzoyl-1-phenylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2101058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).