4-N-butyl-6-chloro-2-N,2-N-dihexyl-1,3,5-triazine-2,4-diamine

C19H36ClN5 — CID 615065

IUPAC4-N-butyl-6-chloro-2-N,2-N-dihexyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCN(CCCCCC)c1nc(Cl)nc(NCCCC)n1
InChIInChI=1S/C19H36ClN5/c1-4-7-10-12-15-25(16-13-11-8-5-2)19-23-17(20)22-18(24-19)21-14-9-6-3/h4-16H2,1-3H3,(H,21,22,23,24)
InChIKeyZDPYSONIRKWPSG-UHFFFAOYSA-N
MW369.99 g/mol
LogP5.70
Rot. Bonds15

About 4-N-butyl-6-chloro-2-N,2-N-dihexyl-1,3,5-triazine-2,4-diamine

4-N-butyl-6-chloro-2-N,2-N-dihexyl-1,3,5-triazine-2,4-diamine (PubChem CID 615065) has the molecular formula C19H36ClN5 and a molecular weight of 369.99 g/mol. Its IUPAC name is 4-N-butyl-6-chloro-2-N,2-N-dihexyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-6-chloro-2-N,2-N-dihexyl-1,3,5-triazine-2,4-diamine
PubChem CID615065
Molecular FormulaC19H36ClN5
Molecular Weight369.99 g/mol
Exact Mass369.27
IUPAC Name4-N-butyl-6-chloro-2-N,2-N-dihexyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCN(CCCCCC)c1nc(Cl)nc(NCCCC)n1
InChIInChI=1S/C19H36ClN5/c1-4-7-10-12-15-25(16-13-11-8-5-2)19-23-17(20)22-18(24-19)21-14-9-6-3/h4-16H2,1-3H3,(H,21,22,23,24)
InChIKeyZDPYSONIRKWPSG-UHFFFAOYSA-N
XLogP5.70
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.99
LogP ≤ 55.70
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 4-N-butyl-6-chloro-2-N,2-N-dihexyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-butyl-6-chloro-2-N,2-N-dihexyl-1,3,5-triazine-2,4-diamine (CID 615065) is 4-N-butyl-6-chloro-2-N,2-N-dihexyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-6-chloro-2-N,2-N-dihexyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-butyl-6-chloro-2-N,2-N-dihexyl-1,3,5-triazine-2,4-diamine is CCCCCCN(CCCCCC)c1nc(Cl)nc(NCCCC)n1.
What is the InChIKey of 4-N-butyl-6-chloro-2-N,2-N-dihexyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZDPYSONIRKWPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36ClN5/c1-4-7-10-12-15-25(16-13-11-8-5-2)19-23-17(20)22-18(24-19)21-14-9-6-3/h4-16H2,1-3H3,(H,21,22,23,24).
What are the key properties of 4-N-butyl-6-chloro-2-N,2-N-dihexyl-1,3,5-triazine-2,4-diamine?
4-N-butyl-6-chloro-2-N,2-N-dihexyl-1,3,5-triazine-2,4-diamine has a molecular weight of 369.99 g/mol, XLogP of 5.70, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-chloro-2-N,2-N-dihexyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 615065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).