5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine

C11H18N2S — CID 107748104

IUPAC5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine
SMILESCc1cnc(SCCC(C)C)cc1N
InChIInChI=1S/C11H18N2S/c1-8(2)4-5-14-11-6-10(12)9(3)7-13-11/h6-8H,4-5H2,1-3H3,(H2,12,13)
InChIKeyHRYVOHGOPYFWAM-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.11
Rot. Bonds4

About 5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine

5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine (PubChem CID 107748104) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine.

Molecular Properties

Compound Name5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine
PubChem CID107748104
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine
SMILESCc1cnc(SCCC(C)C)cc1N
InChIInChI=1S/C11H18N2S/c1-8(2)4-5-14-11-6-10(12)9(3)7-13-11/h6-8H,4-5H2,1-3H3,(H2,12,13)
InChIKeyHRYVOHGOPYFWAM-UHFFFAOYSA-N
XLogP3.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 83267786
2-benzylsulfanyl-5-methylpyridin-4-amine
CID 83269253
5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748140
5-methyl-2-(3-methylbutoxy)pyridin-4-amine
CID 83266368
4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 107766010
5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine
CID 83267578
4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 103704699
5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile
CID 107748198
6-(3-methylbutylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 107765975
2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine
CID 83269733
2-ethoxy-6-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748118
[2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine
CID 107752126

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine?
The IUPAC name of 5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine (CID 107748104) is 5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine.
What is the SMILES notation for 5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine?
The canonical SMILES for 5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine is Cc1cnc(SCCC(C)C)cc1N.
What is the InChIKey of 5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine?
The InChIKey is HRYVOHGOPYFWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8(2)4-5-14-11-6-10(12)9(3)7-13-11/h6-8H,4-5H2,1-3H3,(H2,12,13).
What are the key properties of 5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine?
5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine has a molecular weight of 210.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine is sourced from PubChem (CID 107748104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).