6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine

C13H24ClN5 — CID 107818923

IUPAC6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCCCCCCC(C)C)n1
InChIInChI=1S/C13H24ClN5/c1-10(2)8-6-4-5-7-9-16-13-18-11(14)17-12(15-3)19-13/h10H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyKARFGUIYNCNEGD-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.59
Rot. Bonds9

About 6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine (PubChem CID 107818923) has the molecular formula C13H24ClN5 and a molecular weight of 285.82 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine
PubChem CID107818923
Molecular FormulaC13H24ClN5
Molecular Weight285.82 g/mol
Exact Mass285.17
IUPAC Name6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCCCCCCC(C)C)n1
InChIInChI=1S/C13H24ClN5/c1-10(2)8-6-4-5-7-9-16-13-18-11(14)17-12(15-3)19-13/h10H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyKARFGUIYNCNEGD-UHFFFAOYSA-N
XLogP3.59
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107818966
6-chloro-4-N-ethyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine
CID 107818968
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
2-N,2-N,6-N-trimethyl-4-N-(7-methyloctyl)-1,3,5-triazine-2,4,6-triamine
CID 107818936
6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 154289566
6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine
CID 113490935
5-chloro-N-(7-methyloctyl)pyrimidin-2-amine
CID 107816307
6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 106014974
4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol
CID 106248777
4-N,6-N-dimethyl-2-N-(12-trihydroxysilyldodecyl)-1,3,5-triazine-2,4,6-triamine
CID 172749427
4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine
CID 134109285
6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80785763

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine (CID 107818923) is 6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NCCCCCCC(C)C)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KARFGUIYNCNEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5/c1-10(2)8-6-4-5-7-9-16-13-18-11(14)17-12(15-3)19-13/h10H,4-9H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 285.82 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107818923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).