2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine

C15H22N4S — CID 24777503

IUPAC2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine
SMILESCCCCCCNc1nc(SCC)nc2ncccc12
InChIInChI=1S/C15H22N4S/c1-3-5-6-7-10-16-13-12-9-8-11-17-14(12)19-15(18-13)20-4-2/h8-9,11H,3-7,10H2,1-2H3,(H,16,17,18,19)
InChIKeyOPNHZVULCSIRJP-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.13
Rot. Bonds8

About 2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine

2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 24777503) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID24777503
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine
SMILESCCCCCCNc1nc(SCC)nc2ncccc12
InChIInChI=1S/C15H22N4S/c1-3-5-6-7-10-16-13-12-9-8-11-17-14(12)19-15(18-13)20-4-2/h8-9,11H,3-7,10H2,1-2H3,(H,16,17,18,19)
InChIKeyOPNHZVULCSIRJP-UHFFFAOYSA-N
XLogP4.13
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine 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 2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine (CID 24777503) is 2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine is CCCCCCNc1nc(SCC)nc2ncccc12.
What is the InChIKey of 2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is OPNHZVULCSIRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-5-6-7-10-16-13-12-9-8-11-17-14(12)19-15(18-13)20-4-2/h8-9,11H,3-7,10H2,1-2H3,(H,16,17,18,19).
What are the key properties of 2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine?
2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 290.44 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-hexylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 24777503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).