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

C21H40ClN5 — CID 620755

IUPAC6-chloro-2-N,2-N-dihexyl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCN(CCCCCC)c1nc(Cl)nc(N(CCC)CCC)n1
InChIInChI=1S/C21H40ClN5/c1-5-9-11-13-17-27(18-14-12-10-6-2)21-24-19(22)23-20(25-21)26(15-7-3)16-8-4/h5-18H2,1-4H3
InChIKeyWVCTZNAEOOLGNY-UHFFFAOYSA-N
MW398.04 g/mol
LogP6.12
Rot. Bonds16

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

6-chloro-2-N,2-N-dihexyl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine (PubChem CID 620755) has the molecular formula C21H40ClN5 and a molecular weight of 398.04 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dihexyl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dihexyl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
PubChem CID620755
Molecular FormulaC21H40ClN5
Molecular Weight398.04 g/mol
Exact Mass397.30
IUPAC Name6-chloro-2-N,2-N-dihexyl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCN(CCCCCC)c1nc(Cl)nc(N(CCC)CCC)n1
InChIInChI=1S/C21H40ClN5/c1-5-9-11-13-17-27(18-14-12-10-6-2)21-24-19(22)23-20(25-21)26(15-7-3)16-8-4/h5-18H2,1-4H3
InChIKeyWVCTZNAEOOLGNY-UHFFFAOYSA-N
XLogP6.12
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.04
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-2-N,2-N-dihexyl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

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
N,N-dibutyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 15355831
1,3,5-Triazine-2,4-diamine, N2,N2,N4,N4-tetrabutyl-6-chloro-
CID 3750346
4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 14813048
N^2^,N^2^,N^4^,N^4^,N^6^,N^6^-Hexapropyl-1,3,5-triazine-2,4,6-triamine
CID 3600719
1,3,5-Triazine-2,4,6-triamine, N,N-dioctadecyl-
CID 12113048
2-N,4-N-dibutyl-6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 53700990
Hexyl-methylmelamine
CID 69049716
Dioctadecylamino-1,3,5-triazine
CID 129651822
4,6-Dichloro-N,N-dihexyl-1,3,5-triazin-2-amine
CID 10520613
4,6-difluoro-N,N-dihexyl-1,3,5-triazin-2-amine
CID 54181313

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-dihexyl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dihexyl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine (CID 620755) is 6-chloro-2-N,2-N-dihexyl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dihexyl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dihexyl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine is CCCCCCN(CCCCCC)c1nc(Cl)nc(N(CCC)CCC)n1.
What is the InChIKey of 6-chloro-2-N,2-N-dihexyl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WVCTZNAEOOLGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40ClN5/c1-5-9-11-13-17-27(18-14-12-10-6-2)21-24-19(22)23-20(25-21)26(15-7-3)16-8-4/h5-18H2,1-4H3.
What are the key properties of 6-chloro-2-N,2-N-dihexyl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-dihexyl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine has a molecular weight of 398.04 g/mol, XLogP of 6.12, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-dihexyl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 620755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).