1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione

C15H20N4O3S — CID 16813118

IUPAC1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(SCCN3CCOCC3)ccnc2n(C)c1=O
InChIInChI=1S/C15H20N4O3S/c1-17-13-12(14(20)18(2)15(17)21)11(3-4-16-13)23-10-7-19-5-8-22-9-6-19/h3-4H,5-10H2,1-2H3
InChIKeyBPDSSOPGSWSPRO-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.06
Rot. Bonds4

About 1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16813118) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16813118
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(SCCN3CCOCC3)ccnc2n(C)c1=O
InChIInChI=1S/C15H20N4O3S/c1-17-13-12(14(20)18(2)15(17)21)11(3-4-16-13)23-10-7-19-5-8-22-9-6-19/h3-4H,5-10H2,1-2H3
InChIKeyBPDSSOPGSWSPRO-UHFFFAOYSA-N
XLogP0.06
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-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 1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 16813118) is 1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(SCCN3CCOCC3)ccnc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BPDSSOPGSWSPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-17-13-12(14(20)18(2)15(17)21)11(3-4-16-13)23-10-7-19-5-8-22-9-6-19/h3-4H,5-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 336.42 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16813118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).