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

C19H23N3O4S — CID 166937367

IUPAC5-(2-hydroxy-4-propoxyphenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCCOc1ccc(C2CC(=O)Nc3nc(SCCC)[nH]c(=O)c32)c(O)c1
InChIInChI=1S/C19H23N3O4S/c1-3-7-26-11-5-6-12(14(23)9-11)13-10-15(24)20-17-16(13)18(25)22-19(21-17)27-8-4-2/h5-6,9,13,23H,3-4,7-8,10H2,1-2H3,(H2,20,21,22,24,25)
InChIKeyMMPRIJBOVWMYQX-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.24
Rot. Bonds7

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

5-(2-hydroxy-4-propoxyphenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 166937367) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 5-(2-hydroxy-4-propoxyphenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2-hydroxy-4-propoxyphenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID166937367
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name5-(2-hydroxy-4-propoxyphenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCCOc1ccc(C2CC(=O)Nc3nc(SCCC)[nH]c(=O)c32)c(O)c1
InChIInChI=1S/C19H23N3O4S/c1-3-7-26-11-5-6-12(14(23)9-11)13-10-15(24)20-17-16(13)18(25)22-19(21-17)27-8-4-2/h5-6,9,13,23H,3-4,7-8,10H2,1-2H3,(H2,20,21,22,24,25)
InChIKeyMMPRIJBOVWMYQX-UHFFFAOYSA-N
XLogP3.24
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(2-hydroxy-4-propoxyphenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-4-propoxyphenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2-hydroxy-4-propoxyphenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 166937367) is 5-(2-hydroxy-4-propoxyphenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2-hydroxy-4-propoxyphenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2-hydroxy-4-propoxyphenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CCCOc1ccc(C2CC(=O)Nc3nc(SCCC)[nH]c(=O)c32)c(O)c1.
What is the InChIKey of 5-(2-hydroxy-4-propoxyphenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is MMPRIJBOVWMYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-3-7-26-11-5-6-12(14(23)9-11)13-10-15(24)20-17-16(13)18(25)22-19(21-17)27-8-4-2/h5-6,9,13,23H,3-4,7-8,10H2,1-2H3,(H2,20,21,22,24,25).
What are the key properties of 5-(2-hydroxy-4-propoxyphenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
5-(2-hydroxy-4-propoxyphenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 389.48 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-4-propoxyphenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 166937367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).