3,6-dimethylpyridine-2,5-diamine;dihydrochloride

C7H13Cl2N3 — CID 162309877

IUPAC3,6-dimethylpyridine-2,5-diamine;dihydrochloride
SMILESCc1cc(N)c(C)nc1N.Cl.Cl
InChIInChI=1S/C7H11N3.2ClH/c1-4-3-6(8)5(2)10-7(4)9;;/h3H,8H2,1-2H3,(H2,9,10);2*1H
InChIKeyMLJNBBKODFWQKQ-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.71
Rot. Bonds

About 3,6-dimethylpyridine-2,5-diamine;dihydrochloride

3,6-dimethylpyridine-2,5-diamine;dihydrochloride (PubChem CID 162309877) has the molecular formula C7H13Cl2N3 and a molecular weight of 210.11 g/mol. Its IUPAC name is 3,6-dimethylpyridine-2,5-diamine;dihydrochloride.

Molecular Properties

Compound Name3,6-dimethylpyridine-2,5-diamine;dihydrochloride
PubChem CID162309877
Molecular FormulaC7H13Cl2N3
Molecular Weight210.11 g/mol
Exact Mass209.05
IUPAC Name3,6-dimethylpyridine-2,5-diamine;dihydrochloride
SMILESCc1cc(N)c(C)nc1N.Cl.Cl
InChIInChI=1S/C7H11N3.2ClH/c1-4-3-6(8)5(2)10-7(4)9;;/h3H,8H2,1-2H3,(H2,9,10);2*1H
InChIKeyMLJNBBKODFWQKQ-UHFFFAOYSA-N
XLogP1.71
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-iodo-3,6-dimethylpyridin-2-amine
CID 18380142
5,6-diamino-2-methylpyridin-3-ol
CID 130057572
6-chloro-3,5-dimethylpyridin-2-amine
CID 90874418
3-N,5,6-trimethylpyridine-2,3-diamine
CID 4302073
3,7,8-trimethylquinolin-2-amine;hydrochloride
CID 43866004
3,5,7-trimethylquinolin-2-amine;hydrochloride
CID 43865999
7-bromo-3-methylquinolin-2-amine;hydrochloride
CID 43865982
3,5-difluoro-6-methylpyridin-2-amine
CID 21132018
2,3-dimethylquinoxaline-6,7-diamine
CID 11513893
5-(difluoromethyl)-6-methylpyridine-2,3-diamine
CID 119002559
2-ethenyl-5-methylpyrimidin-4-amine
CID 174159388
2,7-dimethylacridine-3,6-diamine;dihydrochloride
CID 23616360

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylpyridine-2,5-diamine;dihydrochloride?
The IUPAC name of 3,6-dimethylpyridine-2,5-diamine;dihydrochloride (CID 162309877) is 3,6-dimethylpyridine-2,5-diamine;dihydrochloride.
What is the SMILES notation for 3,6-dimethylpyridine-2,5-diamine;dihydrochloride?
The canonical SMILES for 3,6-dimethylpyridine-2,5-diamine;dihydrochloride is Cc1cc(N)c(C)nc1N.Cl.Cl.
What is the InChIKey of 3,6-dimethylpyridine-2,5-diamine;dihydrochloride?
The InChIKey is MLJNBBKODFWQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2ClH/c1-4-3-6(8)5(2)10-7(4)9;;/h3H,8H2,1-2H3,(H2,9,10);2*1H.
What are the key properties of 3,6-dimethylpyridine-2,5-diamine;dihydrochloride?
3,6-dimethylpyridine-2,5-diamine;dihydrochloride has a molecular weight of 210.11 g/mol, XLogP of 1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylpyridine-2,5-diamine;dihydrochloride is sourced from PubChem (CID 162309877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).