1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione

C21H18N2O2S — CID 15994737

IUPAC1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1ccccc1
InChIInChI=1S/C21H18N2O2S/c1-14-15(2)26-20-18(14)19(24)23(17-11-7-4-8-12-17)21(25)22(20)13-16-9-5-3-6-10-16/h3-12H,13H2,1-2H3
InChIKeyVOXUOFHZDZDYOM-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.88
Rot. Bonds3

About 1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione

1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 15994737) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID15994737
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1ccccc1
InChIInChI=1S/C21H18N2O2S/c1-14-15(2)26-20-18(14)19(24)23(17-11-7-4-8-12-17)21(25)22(20)13-16-9-5-3-6-10-16/h3-12H,13H2,1-2H3
InChIKeyVOXUOFHZDZDYOM-UHFFFAOYSA-N
XLogP3.88
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione (CID 15994737) is 1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione is Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VOXUOFHZDZDYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-14-15(2)26-20-18(14)19(24)23(17-11-7-4-8-12-17)21(25)22(20)13-16-9-5-3-6-10-16/h3-12H,13H2,1-2H3.
What are the key properties of 1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione?
1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 362.45 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 15994737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).