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

C16H30ClN5 — CID 604297

IUPAC6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCN(CCCCCC)c1nc(Cl)nc(NC)n1
InChIInChI=1S/C16H30ClN5/c1-4-6-8-10-12-22(13-11-9-7-5-2)16-20-14(17)19-15(18-3)21-16/h4-13H2,1-3H3,(H,18,19,20,21)
InChIKeyNILTZZQWSJOURD-UHFFFAOYSA-N
MW327.90 g/mol
LogP4.53
Rot. Bonds12

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

6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 604297) has the molecular formula C16H30ClN5 and a molecular weight of 327.90 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID604297
Molecular FormulaC16H30ClN5
Molecular Weight327.90 g/mol
Exact Mass327.22
IUPAC Name6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCN(CCCCCC)c1nc(Cl)nc(NC)n1
InChIInChI=1S/C16H30ClN5/c1-4-6-8-10-12-22(13-11-9-7-5-2)16-20-14(17)19-15(18-3)21-16/h4-13H2,1-3H3,(H,18,19,20,21)
InChIKeyNILTZZQWSJOURD-UHFFFAOYSA-N
XLogP4.53
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 54.53
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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Related Compounds

2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80754638
4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine
CID 178072208
6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80809869
6-chloro-2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80799483
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
6-chloro-4-N-methyl-2-N,2-N-bis(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine
CID 169436041
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-(cyanomethyl)amino]acetonitrile
CID 80754360
4,6-dichloro-N-methyl-N-octadecyl-1,3,5-triazin-2-amine
CID 3103368
6-chloro-2-N,4-N-dimethyl-2-N,4-N-dioctadecyl-1,3,5-triazine-2,4-diamine
CID 3681496
4-chloro-N-methyl-6-octoxy-1,3,5-triazin-2-amine
CID 80861536
4-chloro-N-methyl-6-octylsulfanyl-1,3,5-triazin-2-amine
CID 167281206
6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine
CID 59356287

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 604297) is 6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine is CCCCCCN(CCCCCC)c1nc(Cl)nc(NC)n1.
What is the InChIKey of 6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NILTZZQWSJOURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30ClN5/c1-4-6-8-10-12-22(13-11-9-7-5-2)16-20-14(17)19-15(18-3)21-16/h4-13H2,1-3H3,(H,18,19,20,21).
What are the key properties of 6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 327.90 g/mol, XLogP of 4.53, 12 rotatable bonds, 1 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-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 604297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).