(5S)-5-(2-ethoxyphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione

C19H23N3O3S — CID 7426191

About (5S)-5-(2-ethoxyphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione

(5S)-5-(2-ethoxyphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 7426191) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (5S)-5-(2-ethoxyphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

• Compound Name: (5S)-5-(2-ethoxyphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
• PubChem CID: 7426191
• Molecular Formula: C19H23N3O3S
• Molecular Weight: 373.48 g/mol
• Exact Mass: 373.15
• IUPAC Name: (5S)-5-(2-ethoxyphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
• SMILES: CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1OCC
• InChI: InChI=1S/C19H23N3O3S/c1-4-10-26-19-21-18(24)16-13(11-15(23)20-17(16)22(19)3)12-8-6-7-9-14(12)25-5-2/h6-9,13H,4-5,10-11H2,1-3H3,(H,20,23)/t13-/m0/s1
• InChIKey: MOWGEXMLZZIYIH-ZDUSSCGKSA-N
• XLogP: 3.16
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.48
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-ethoxyphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?

The IUPAC name of (5S)-5-(2-ethoxyphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione (CID 7426191) is (5S)-5-(2-ethoxyphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.

What is the SMILES notation for (5S)-5-(2-ethoxyphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?

The canonical SMILES for (5S)-5-(2-ethoxyphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione is CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1OCC.

What is the InChIKey of (5S)-5-(2-ethoxyphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?

The InChIKey is MOWGEXMLZZIYIH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-4-10-26-19-21-18(24)16-13(11-15(23)20-17(16)22(19)3)12-8-6-7-9-14(12)25-5-2/h6-9,13H,4-5,10-11H2,1-3H3,(H,20,23)/t13-/m0/s1.

What are the key properties of (5S)-5-(2-ethoxyphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?

(5S)-5-(2-ethoxyphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 373.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(2-ethoxyphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 7426191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).