2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine

C42H75N21 — CID 118603009

IUPAC2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(NCCC)nc(NCCC)n1)c1nc(N(CCCC)c2nc(NCCC)nc(NCCC)n2)nc(N(CCCC)c2nc(NCCC)nc(NCCC)n2)n1
InChIInChI=1S/C42H75N21/c1-10-19-28-61(37-52-31(43-22-13-4)49-32(53-37)44-23-14-5)40-58-41(62(29-20-11-2)38-54-33(45-24-15-6)50-34(55-38)46-25-16-7)60-42(59-40)63(30-21-12-3)39-56-35(47-26-17-8)51-36(57-39)48-27-18-9/h10-30H2,1-9H3,(H2,43,44,49,52,53)(H2,45,46,50,54,55)(H2,47,48,51,56,57)
InChIKeyAJBHPPAYPMDBIO-UHFFFAOYSA-N
MW874.21 g/mol
LogP8.17
Rot. Bonds33

About 2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine

2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 118603009) has the molecular formula C42H75N21 and a molecular weight of 874.21 g/mol. Its IUPAC name is 2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
PubChem CID118603009
Molecular FormulaC42H75N21
Molecular Weight874.21 g/mol
Exact Mass873.65
IUPAC Name2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(NCCC)nc(NCCC)n1)c1nc(N(CCCC)c2nc(NCCC)nc(NCCC)n2)nc(N(CCCC)c2nc(NCCC)nc(NCCC)n2)n1
InChIInChI=1S/C42H75N21/c1-10-19-28-61(37-52-31(43-22-13-4)49-32(53-37)44-23-14-5)40-58-41(62(29-20-11-2)38-54-33(45-24-15-6)50-34(55-38)46-25-16-7)60-42(59-40)63(30-21-12-3)39-56-35(47-26-17-8)51-36(57-39)48-27-18-9/h10-30H2,1-9H3,(H2,43,44,49,52,53)(H2,45,46,50,54,55)(H2,47,48,51,56,57)
InChIKeyAJBHPPAYPMDBIO-UHFFFAOYSA-N
XLogP8.17
TPSA236.58 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds33
Heavy Atoms63
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500874.21
LogP ≤ 58.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80845861
2-N-ethyl-4-N,4-N-dimethyl-2-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 80774261
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
2-[[4-[bis(2-hydroxyethyl)amino]-6-(2,2-dibutylhydrazinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 67122999
2-N,2-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
2-N-(2-methoxyethyl)-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80795524
2-N,2-N-dimethyl-4-N-(3-methylpentan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80802969
5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106138250
N,N-dibutyl-4,6-dihydrazinyl-1,3,5-triazin-2-amine
CID 101056119
6-butylsulfanyl-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80884317

Frequently Asked Questions

What is the IUPAC name of 2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine (CID 118603009) is 2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine is CCCCN(c1nc(NCCC)nc(NCCC)n1)c1nc(N(CCCC)c2nc(NCCC)nc(NCCC)n2)nc(N(CCCC)c2nc(NCCC)nc(NCCC)n2)n1.
What is the InChIKey of 2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is AJBHPPAYPMDBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H75N21/c1-10-19-28-61(37-52-31(43-22-13-4)49-32(53-37)44-23-14-5)40-58-41(62(29-20-11-2)38-54-33(45-24-15-6)50-34(55-38)46-25-16-7)60-42(59-40)63(30-21-12-3)39-56-35(47-26-17-8)51-36(57-39)48-27-18-9/h10-30H2,1-9H3,(H2,43,44,49,52,53)(H2,45,46,50,54,55)(H2,47,48,51,56,57).
What are the key properties of 2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 874.21 g/mol, XLogP of 8.17, 33 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4,6-bis[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]-butylamino]-1,3,5-triazin-2-yl]-2-N-butyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 118603009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).