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

C19H23N3O2S — CID 23609490

IUPAC5-(2,4-dimethylphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCCSc1nc(=O)c2c(n1C)NC(=O)CC2c1ccc(C)cc1C
InChIInChI=1S/C19H23N3O2S/c1-5-8-25-19-21-18(24)16-14(10-15(23)20-17(16)22(19)4)13-7-6-11(2)9-12(13)3/h6-7,9,14H,5,8,10H2,1-4H3,(H,20,23)
InChIKeyPZAIOUIHRKUPBH-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.37
Rot. Bonds4

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

5-(2,4-dimethylphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 23609490) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID23609490
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name5-(2,4-dimethylphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCCSc1nc(=O)c2c(n1C)NC(=O)CC2c1ccc(C)cc1C
InChIInChI=1S/C19H23N3O2S/c1-5-8-25-19-21-18(24)16-14(10-15(23)20-17(16)22(19)4)13-7-6-11(2)9-12(13)3/h6-7,9,14H,5,8,10H2,1-4H3,(H,20,23)
InChIKeyPZAIOUIHRKUPBH-UHFFFAOYSA-N
XLogP3.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2,4-dimethylphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione (CID 23609490) is 5-(2,4-dimethylphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2,4-dimethylphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione is CCCSc1nc(=O)c2c(n1C)NC(=O)CC2c1ccc(C)cc1C.
What is the InChIKey of 5-(2,4-dimethylphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is PZAIOUIHRKUPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-5-8-25-19-21-18(24)16-14(10-15(23)20-17(16)22(19)4)13-7-6-11(2)9-12(13)3/h6-7,9,14H,5,8,10H2,1-4H3,(H,20,23).
What are the key properties of 5-(2,4-dimethylphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione?
5-(2,4-dimethylphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 357.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-1-methyl-2-propylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 23609490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).