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

C14H20N4S — CID 24777502

IUPAC2-ethylsulfanyl-N-pentylpyrido[2,3-d]pyrimidin-4-amine
SMILESCCCCCNc1nc(SCC)nc2ncccc12
InChIInChI=1S/C14H20N4S/c1-3-5-6-9-15-12-11-8-7-10-16-13(11)18-14(17-12)19-4-2/h7-8,10H,3-6,9H2,1-2H3,(H,15,16,17,18)
InChIKeyZRQQYNXXSNEDCZ-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.74
Rot. Bonds7

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

2-ethylsulfanyl-N-pentylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 24777502) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-pentylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-pentylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID24777502
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-ethylsulfanyl-N-pentylpyrido[2,3-d]pyrimidin-4-amine
SMILESCCCCCNc1nc(SCC)nc2ncccc12
InChIInChI=1S/C14H20N4S/c1-3-5-6-9-15-12-11-8-7-10-16-13(11)18-14(17-12)19-4-2/h7-8,10H,3-6,9H2,1-2H3,(H,15,16,17,18)
InChIKeyZRQQYNXXSNEDCZ-UHFFFAOYSA-N
XLogP3.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-pentylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethylsulfanyl-N-pentylpyrido[2,3-d]pyrimidin-4-amine (CID 24777502) is 2-ethylsulfanyl-N-pentylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethylsulfanyl-N-pentylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethylsulfanyl-N-pentylpyrido[2,3-d]pyrimidin-4-amine is CCCCCNc1nc(SCC)nc2ncccc12.
What is the InChIKey of 2-ethylsulfanyl-N-pentylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is ZRQQYNXXSNEDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-5-6-9-15-12-11-8-7-10-16-13(11)18-14(17-12)19-4-2/h7-8,10H,3-6,9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2-ethylsulfanyl-N-pentylpyrido[2,3-d]pyrimidin-4-amine?
2-ethylsulfanyl-N-pentylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 276.41 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-pentylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 24777502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).