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21320-31-0 molecular structure
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2-N,2-N,6-trimethyl-1,3,5-triazine-2,4-diamine

ChemBase ID: 252228
Molecular Formular: C6H11N5
Molecular Mass: 153.18504
Monoisotopic Mass: 153.10144538
SMILES and InChIs

SMILES:
c1(nc(nc(n1)C)N)N(C)C
Canonical SMILES:
Cc1nc(N)nc(n1)N(C)C
InChI:
InChI=1S/C6H11N5/c1-4-8-5(7)10-6(9-4)11(2)3/h1-3H3,(H2,7,8,9,10)
InChIKey:
DUAYDERMVQWIJD-UHFFFAOYSA-N

Cite this record

CBID:252228 http://www.chembase.cn/molecule-252228.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-N,2-N,6-trimethyl-1,3,5-triazine-2,4-diamine
IUPAC Traditional name
2-N,2-N,6-trimethyl-1,3,5-triazine-2,4-diamine
Synonyms
N,N,6-trimethyl-1,3,5-triazine-2,4-diamine
CAS Number
21320-31-0
MDL Number
MFCD00067864
PubChem SID
164308138
PubChem CID
592622

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-24309 external link Add to cart Please log in.
Data Source Data ID
PubChem 592622 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.086  H Acceptors
H Donor LogD (pH = 5.5) -0.40914497 
LogD (pH = 7.4) 0.85875416  Log P 0.9845779 
Molar Refractivity 46.167 cm3 Polarizability 15.405682 Å3
Polar Surface Area 67.93 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-1.6 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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