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

C15H28ClN5 — CID 107818966

IUPAC6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NCCCCCCC(C)C)n1
InChIInChI=1S/C15H28ClN5/c1-4-10-17-14-19-13(16)20-15(21-14)18-11-8-6-5-7-9-12(2)3/h12H,4-11H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyZBCYYOFSZWRYGF-UHFFFAOYSA-N
MW313.88 g/mol
LogP4.37
Rot. Bonds11

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

6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 107818966) has the molecular formula C15H28ClN5 and a molecular weight of 313.88 g/mol. Its IUPAC name is 6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID107818966
Molecular FormulaC15H28ClN5
Molecular Weight313.88 g/mol
Exact Mass313.20
IUPAC Name6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NCCCCCCC(C)C)n1
InChIInChI=1S/C15H28ClN5/c1-4-10-17-14-19-13(16)20-15(21-14)18-11-8-6-5-7-9-12(2)3/h12H,4-11H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyZBCYYOFSZWRYGF-UHFFFAOYSA-N
XLogP4.37
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(7-methyloctyl)-1,3,5-triazine-2,4-diamine
CID 107818923
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 154289566
6-chloro-2-N-(4-propan-2-yloxybutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 106014722
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
5-chloro-4-N-(7-methyloctyl)-2-N-propylpyrimidine-2,4-diamine
CID 107818942
6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80769646
6-chloro-2-N-(4-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782797
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-chloro-2-N-(3-methoxypropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80772028
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 107818966) is 6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(NCCCCCCC(C)C)n1.
What is the InChIKey of 6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZBCYYOFSZWRYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN5/c1-4-10-17-14-19-13(16)20-15(21-14)18-11-8-6-5-7-9-12(2)3/h12H,4-11H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 313.88 g/mol, XLogP of 4.37, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107818966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).