N-butyl-2-butylsulfanylpyrido[2,3-d]pyrimidin-4-amine

C15H22N4S — CID 54769113

IUPACN-butyl-2-butylsulfanylpyrido[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1nc(SCCCC)nc2ncccc12
InChIInChI=1S/C15H22N4S/c1-3-5-9-16-13-12-8-7-10-17-14(12)19-15(18-13)20-11-6-4-2/h7-8,10H,3-6,9,11H2,1-2H3,(H,16,17,18,19)
InChIKeySIILXDDVYFJBOL-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.13
Rot. Bonds8

About N-butyl-2-butylsulfanylpyrido[2,3-d]pyrimidin-4-amine

N-butyl-2-butylsulfanylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 54769113) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-butyl-2-butylsulfanylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-butylsulfanylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID54769113
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-butyl-2-butylsulfanylpyrido[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1nc(SCCCC)nc2ncccc12
InChIInChI=1S/C15H22N4S/c1-3-5-9-16-13-12-8-7-10-17-14(12)19-15(18-13)20-11-6-4-2/h7-8,10H,3-6,9,11H2,1-2H3,(H,16,17,18,19)
InChIKeySIILXDDVYFJBOL-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'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-butylsulfanylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-2-butylsulfanylpyrido[2,3-d]pyrimidin-4-amine (CID 54769113) is N-butyl-2-butylsulfanylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-butylsulfanylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-2-butylsulfanylpyrido[2,3-d]pyrimidin-4-amine is CCCCNc1nc(SCCCC)nc2ncccc12.
What is the InChIKey of N-butyl-2-butylsulfanylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is SIILXDDVYFJBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-5-9-16-13-12-8-7-10-17-14(12)19-15(18-13)20-11-6-4-2/h7-8,10H,3-6,9,11H2,1-2H3,(H,16,17,18,19).
What are the key properties of N-butyl-2-butylsulfanylpyrido[2,3-d]pyrimidin-4-amine?
N-butyl-2-butylsulfanylpyrido[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 N-butyl-2-butylsulfanylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54769113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).