4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine

C9H15N3S — CID 79176053

IUPAC4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
SMILESCSCCNc1cc(C)c(N)cn1
InChIInChI=1S/C9H15N3S/c1-7-5-9(11-3-4-13-2)12-6-8(7)10/h5-6H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyQASAJWIGFWOYAU-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.75
Rot. Bonds4

About 4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine

4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine (PubChem CID 79176053) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
PubChem CID79176053
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
SMILESCSCCNc1cc(C)c(N)cn1
InChIInChI=1S/C9H15N3S/c1-7-5-9(11-3-4-13-2)12-6-8(7)10/h5-6H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyQASAJWIGFWOYAU-UHFFFAOYSA-N
XLogP1.75
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243671
2-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpyridine-2,5-diamine
CID 79173924
5-[(5-amino-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106119726
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine
CID 114536202
4-methyl-2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106413974
4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine
CID 115147478
4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 115147485
4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine
CID 79176329
5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine
CID 106426462
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine
CID 79172913
4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 79177071
6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112726070

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine?
The IUPAC name of 4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine (CID 79176053) is 4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine?
The canonical SMILES for 4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine is CSCCNc1cc(C)c(N)cn1.
What is the InChIKey of 4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine?
The InChIKey is QASAJWIGFWOYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-5-9(11-3-4-13-2)12-6-8(7)10/h5-6H,3-4,10H2,1-2H3,(H,11,12).
What are the key properties of 4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine?
4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine has a molecular weight of 197.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 79176053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).