6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine

C14H23N3OS — CID 80584935

IUPAC6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine
SMILESCC(C)COc1nc(NCC2CCCS2)ccc1N
InChIInChI=1S/C14H23N3OS/c1-10(2)9-18-14-12(15)5-6-13(17-14)16-8-11-4-3-7-19-11/h5-6,10-11H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyCUEWLHFCRYKTMW-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.01
Rot. Bonds6

About 6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine

6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine (PubChem CID 80584935) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine
PubChem CID80584935
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine
SMILESCC(C)COc1nc(NCC2CCCS2)ccc1N
InChIInChI=1S/C14H23N3OS/c1-10(2)9-18-14-12(15)5-6-13(17-14)16-8-11-4-3-7-19-11/h5-6,10-11H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyCUEWLHFCRYKTMW-UHFFFAOYSA-N
XLogP3.01
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 63820939
2-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 62975170
6-(2-methylpropoxy)-2-N-(4,4,4-trifluorobutyl)pyridine-2,5-diamine
CID 115515323
6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
CID 106324765
2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 115324708
3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43261814
2-N-(thiolan-2-ylmethyl)quinoline-2,6-diamine
CID 80584933
2-N-(2,2-dimethylcyclohexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 79865603
3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide
CID 79377004
2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine
CID 80852493
2-N-(thian-2-ylmethyl)pyridine-2,5-diamine
CID 80595595
6-N-(thian-2-ylmethyl)pyridine-2,6-diamine
CID 80646834

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine (CID 80584935) is 6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine is CC(C)COc1nc(NCC2CCCS2)ccc1N.
What is the InChIKey of 6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine?
The InChIKey is CUEWLHFCRYKTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10(2)9-18-14-12(15)5-6-13(17-14)16-8-11-4-3-7-19-11/h5-6,10-11H,3-4,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of 6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine?
6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine has a molecular weight of 281.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 80584935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).