2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine

C20H32N6O — CID 20760965

IUPAC2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCNc1nc(Nc2ccc(OCC)cc2)nc(N(C)CCCC)n1
InChIInChI=1S/C20H32N6O/c1-5-8-14-21-18-23-19(25-20(24-18)26(4)15-9-6-2)22-16-10-12-17(13-11-16)27-7-3/h10-13H,5-9,14-15H2,1-4H3,(H2,21,22,23,24,25)
InChIKeyIPGIDKQEYQGROE-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.46
Rot. Bonds12

About 2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 20760965) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is 2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID20760965
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCNc1nc(Nc2ccc(OCC)cc2)nc(N(C)CCCC)n1
InChIInChI=1S/C20H32N6O/c1-5-8-14-21-18-23-19(25-20(24-18)26(4)15-9-6-2)22-16-10-12-17(13-11-16)27-7-3/h10-13H,5-9,14-15H2,1-4H3,(H2,21,22,23,24,25)
InChIKeyIPGIDKQEYQGROE-UHFFFAOYSA-N
XLogP4.46
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908206
6-chloro-2-N-(4-ethoxyphenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768213
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine
CID 16910832
2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine
CID 159810623
2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112925744
4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 101120334
4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80737154
2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906938
6-ethoxy-2-N-(3-methoxypropyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80824057
2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 58722838
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112938004
2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 59132939

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 20760965) is 2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine is CCCCNc1nc(Nc2ccc(OCC)cc2)nc(N(C)CCCC)n1.
What is the InChIKey of 2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is IPGIDKQEYQGROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c1-5-8-14-21-18-23-19(25-20(24-18)26(4)15-9-6-2)22-16-10-12-17(13-11-16)27-7-3/h10-13H,5-9,14-15H2,1-4H3,(H2,21,22,23,24,25).
What are the key properties of 2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 372.52 g/mol, XLogP of 4.46, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 20760965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).