2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine

C14H17N3S — CID 115147909

IUPAC2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine
SMILESCSc1ccc(N(C)c2ncc(N)cc2C)cc1
InChIInChI=1S/C14H17N3S/c1-10-8-11(15)9-16-14(10)17(2)12-4-6-13(18-3)7-5-12/h4-9H,15H2,1-3H3
InChIKeyOYEXAENTQRMCMB-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.46
Rot. Bonds3

About 2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine

2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine (PubChem CID 115147909) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine
PubChem CID115147909
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine
SMILESCSc1ccc(N(C)c2ncc(N)cc2C)cc1
InChIInChI=1S/C14H17N3S/c1-10-8-11(15)9-16-14(10)17(2)12-4-6-13(18-3)7-5-12/h4-9H,15H2,1-3H3
InChIKeyOYEXAENTQRMCMB-UHFFFAOYSA-N
XLogP3.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3,4-dimethylphenyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147871
2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147885
2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147920
5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 115147912
2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine
CID 115147916
2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine
CID 115147926
2-N-(2,4-difluorophenyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147897
5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine
CID 115148526
5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
CID 62983158
5-methyl-6-methylsulfanylpyridin-3-amine
CID 62476915
N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine
CID 79712553
2-N,3-dimethyl-2-N-(2-methyl-1H-indol-3-yl)pyridine-2,5-diamine
CID 115147900

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine (CID 115147909) is 2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine is CSc1ccc(N(C)c2ncc(N)cc2C)cc1.
What is the InChIKey of 2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine?
The InChIKey is OYEXAENTQRMCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-8-11(15)9-16-14(10)17(2)12-4-6-13(18-3)7-5-12/h4-9H,15H2,1-3H3.
What are the key properties of 2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine?
2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine has a molecular weight of 259.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 115147909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).