5-(2,4-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C16H15F2N3O2S — CID 135546800

IUPAC5-(2,4-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCCSc1nc2c(c(=O)[nH]1)C(c1ccc(F)cc1F)CC(=O)N2
InChIInChI=1S/C16H15F2N3O2S/c1-2-5-24-16-20-14-13(15(23)21-16)10(7-12(22)19-14)9-4-3-8(17)6-11(9)18/h3-4,6,10H,2,5,7H2,1H3,(H2,19,20,21,22,23)
InChIKeyAMUDEUBDLUNZIH-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.02
Rot. Bonds4

About 5-(2,4-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

5-(2,4-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135546800) has the molecular formula C16H15F2N3O2S and a molecular weight of 351.38 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135546800
Molecular FormulaC16H15F2N3O2S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name5-(2,4-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCCSc1nc2c(c(=O)[nH]1)C(c1ccc(F)cc1F)CC(=O)N2
InChIInChI=1S/C16H15F2N3O2S/c1-2-5-24-16-20-14-13(15(23)21-16)10(7-12(22)19-14)9-4-3-8(17)6-11(9)18/h3-4,6,10H,2,5,7H2,1H3,(H2,19,20,21,22,23)
InChIKeyAMUDEUBDLUNZIH-UHFFFAOYSA-N
XLogP3.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2,4-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135546800) is 5-(2,4-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CCCSc1nc2c(c(=O)[nH]1)C(c1ccc(F)cc1F)CC(=O)N2.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is AMUDEUBDLUNZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2S/c1-2-5-24-16-20-14-13(15(23)21-16)10(7-12(22)19-14)9-4-3-8(17)6-11(9)18/h3-4,6,10H,2,5,7H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 5-(2,4-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
5-(2,4-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 351.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135546800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).