4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine

C15H26Cl2N4 — CID 10520613

IUPAC4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine
SMILESCCCCCCN(CCCCCC)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C15H26Cl2N4/c1-3-5-7-9-11-21(12-10-8-6-4-2)15-19-13(16)18-14(17)20-15/h3-12H2,1-2H3
InChIKeyFLRXLJWKNAUVQU-UHFFFAOYSA-N
MW333.31 g/mol
LogP5.15
Rot. Bonds11

About 4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine

4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine (PubChem CID 10520613) has the molecular formula C15H26Cl2N4 and a molecular weight of 333.31 g/mol. Its IUPAC name is 4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine
PubChem CID10520613
Molecular FormulaC15H26Cl2N4
Molecular Weight333.31 g/mol
Exact Mass332.15
IUPAC Name4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine
SMILESCCCCCCN(CCCCCC)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C15H26Cl2N4/c1-3-5-7-9-11-21(12-10-8-6-4-2)15-19-13(16)18-14(17)20-15/h3-12H2,1-2H3
InChIKeyFLRXLJWKNAUVQU-UHFFFAOYSA-N
XLogP5.15
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.31
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Chlorazine
CID 11380
2,4-Dichloro-6-(1-piperidinyl)-1,3,5-triazine
CID 209165
1,3,5-Triazine-2,4-diamine, N,N,N',N'-tetramethyl-6-(1-piperidinyl)-
CID 969866
1H-Azepine, 1-(4,6-dichloro-1,3,5-triazin-2-yl)hexahydro-
CID 3062483
2-Chloro-4,6-bis(2-methylpiperidin-1-yl)-1,3,5-triazine
CID 4007843
N,N-dibutyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 15355831
Dibutylmelamine
CID 11310965
2,6-Diazaperhydroepinyl-4-chloro-1,3,5-triazine
CID 745256
1,3,5-Triazine-2,4-diamine, N2,N2,N4,N4-tetrabutyl-6-chloro-
CID 3750346
4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine
CID 12937544
4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 14813048
4,6-Dichloro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
CID 13961052

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine (CID 10520613) is 4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine is CCCCCCN(CCCCCC)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine?
The InChIKey is FLRXLJWKNAUVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26Cl2N4/c1-3-5-7-9-11-21(12-10-8-6-4-2)15-19-13(16)18-14(17)20-15/h3-12H2,1-2H3.
What are the key properties of 4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine?
4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine has a molecular weight of 333.31 g/mol, XLogP of 5.15, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N,N-dihexyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 10520613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).