2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine

C15H19N3OS — CID 43261396

IUPAC2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCSc1ccc(Nc2ccc(N)c(OC(C)C)n2)cc1
InChIInChI=1S/C15H19N3OS/c1-10(2)19-15-13(16)8-9-14(18-15)17-11-4-6-12(20-3)7-5-11/h4-10H,16H2,1-3H3,(H,17,18)
InChIKeyZGMLYKDWNHKRHE-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.92
Rot. Bonds5

About 2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine

2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 43261396) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID43261396
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCSc1ccc(Nc2ccc(N)c(OC(C)C)n2)cc1
InChIInChI=1S/C15H19N3OS/c1-10(2)19-15-13(16)8-9-14(18-15)17-11-4-6-12(20-3)7-5-11/h4-10H,16H2,1-3H3,(H,17,18)
InChIKeyZGMLYKDWNHKRHE-UHFFFAOYSA-N
XLogP3.92
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3,5-dimethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261617
2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 107363647
3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile
CID 103467393
6-ethoxy-2-N-(4-propan-2-yloxyphenyl)pyridine-2,5-diamine
CID 43261775
2-N-(3-bromophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261575
2-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 82798611
2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 65475242
2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 83077911
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261264
6-propan-2-yloxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
CID 43261404
2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63403025
2-N-(3-bromo-2-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 107633622

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine (CID 43261396) is 2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine is CSc1ccc(Nc2ccc(N)c(OC(C)C)n2)cc1.
What is the InChIKey of 2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is ZGMLYKDWNHKRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)19-15-13(16)8-9-14(18-15)17-11-4-6-12(20-3)7-5-11/h4-10H,16H2,1-3H3,(H,17,18).
What are the key properties of 2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine?
2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 289.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylsulfanylphenyl)-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 43261396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).