1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione

C20H14F2N2O2S — CID 53331543

IUPAC1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(=O)c2sccc2n(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C20H14F2N2O2S/c1-12-4-2-3-5-16(12)24-19(25)18-17(8-9-27-18)23(20(24)26)11-13-6-7-14(21)15(22)10-13/h2-10H,11H2,1H3
InChIKeyXLBSYUWWRWRIIM-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.85
Rot. Bonds3

About 1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione

1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 53331543) has the molecular formula C20H14F2N2O2S and a molecular weight of 384.41 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID53331543
Molecular FormulaC20H14F2N2O2S
Molecular Weight384.41 g/mol
Exact Mass384.07
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(=O)c2sccc2n(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C20H14F2N2O2S/c1-12-4-2-3-5-16(12)24-19(25)18-17(8-9-27-18)23(20(24)26)11-13-6-7-14(21)15(22)10-13/h2-10H,11H2,1H3
InChIKeyXLBSYUWWRWRIIM-UHFFFAOYSA-N
XLogP3.85
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione (CID 53331543) is 1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione is Cc1ccccc1-n1c(=O)c2sccc2n(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is XLBSYUWWRWRIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O2S/c1-12-4-2-3-5-16(12)24-19(25)18-17(8-9-27-18)23(20(24)26)11-13-6-7-14(21)15(22)10-13/h2-10H,11H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione?
1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 384.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53331543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).