2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile

C13H19N3OS — CID 103819962

IUPAC2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCSC(CO)C(C)Nc1nc(C)cc(C)c1C#N
InChIInChI=1S/C13H19N3OS/c1-8-5-9(2)15-13(11(8)6-14)16-10(3)12(7-17)18-4/h5,10,12,17H,7H2,1-4H3,(H,15,16)
InChIKeyXRSRCKAKDWJOBN-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.09
Rot. Bonds5

About 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile

2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 103819962) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID103819962
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCSC(CO)C(C)Nc1nc(C)cc(C)c1C#N
InChIInChI=1S/C13H19N3OS/c1-8-5-9(2)15-13(11(8)6-14)16-10(3)12(7-17)18-4/h5,10,12,17H,7H2,1-4H3,(H,15,16)
InChIKeyXRSRCKAKDWJOBN-UHFFFAOYSA-N
XLogP2.09
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 79249172
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103819994
2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 66177763
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide
CID 60658746
4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile
CID 106230781
2-methylsulfanyl-3-[(3,5,6-trichloro-2-pyridinyl)amino]butan-1-ol
CID 106162580
4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile
CID 63510639
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113239917
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
methyl 2-[[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]amino]-6-methyl-3-nitropyridine-4-carboxylate
CID 124855776
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile
CID 102906163
4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 60704126

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile (CID 103819962) is 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile is CSC(CO)C(C)Nc1nc(C)cc(C)c1C#N.
What is the InChIKey of 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is XRSRCKAKDWJOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-8-5-9(2)15-13(11(8)6-14)16-10(3)12(7-17)18-4/h5,10,12,17H,7H2,1-4H3,(H,15,16).
What are the key properties of 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile?
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 265.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 103819962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).