6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine

C16H19ClN2S — CID 167048367

IUPAC6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine
SMILESCSc1c(Cl)cc(-c2ccc(C(C)(C)C)cc2)nc1N
InChIInChI=1S/C16H19ClN2S/c1-16(2,3)11-7-5-10(6-8-11)13-9-12(17)14(20-4)15(18)19-13/h5-9H,1-4H3,(H2,18,19)
InChIKeyXTQXXTSZSZEBDA-UHFFFAOYSA-N
MW306.86 g/mol
LogP5.00
Rot. Bonds2

About 6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine

6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine (PubChem CID 167048367) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine
PubChem CID167048367
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine
SMILESCSc1c(Cl)cc(-c2ccc(C(C)(C)C)cc2)nc1N
InChIInChI=1S/C16H19ClN2S/c1-16(2,3)11-7-5-10(6-8-11)13-9-12(17)14(20-4)15(18)19-13/h5-9H,1-4H3,(H2,18,19)
InChIKeyXTQXXTSZSZEBDA-UHFFFAOYSA-N
XLogP5.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.86
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid
CID 155338252
6-(4-tert-butylphenyl)pyrimidine-2,4-diamine
CID 106878479
4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine
CID 22135532
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754
4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine
CID 158829270
6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine
CID 80935518
6-(4-tert-butylphenyl)-3-methoxypyridin-2-amine
CID 82556285
4-(4-tert-butylphenyl)-2,6-dichloropyridine
CID 170341950
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002
4-(4-tert-butylphenyl)-6-chloro-2-propylpyrimidine
CID 80946463
2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid
CID 28799538
4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane
CID 143206145

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine?
The IUPAC name of 6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine (CID 167048367) is 6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine.
What is the SMILES notation for 6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine?
The canonical SMILES for 6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine is CSc1c(Cl)cc(-c2ccc(C(C)(C)C)cc2)nc1N.
What is the InChIKey of 6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine?
The InChIKey is XTQXXTSZSZEBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c1-16(2,3)11-7-5-10(6-8-11)13-9-12(17)14(20-4)15(18)19-13/h5-9H,1-4H3,(H2,18,19).
What are the key properties of 6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine?
6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine has a molecular weight of 306.86 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-4-chloro-3-methylsulfanylpyridin-2-amine is sourced from PubChem (CID 167048367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).