3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine

C16H15N5O2S — CID 162647092

IUPAC3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(N)nc3)n2)cc1
InChIInChI=1S/C16H15N5O2S/c1-24(22,23)12-5-2-10(3-6-12)13-9-20-16(18)15(21-13)11-4-7-14(17)19-8-11/h2-9H,1H3,(H2,17,19)(H2,18,20)
InChIKeyJTCHMTDHUXPBDW-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.77
Rot. Bonds3

About 3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine

3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (PubChem CID 162647092) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
PubChem CID162647092
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(N)nc3)n2)cc1
InChIInChI=1S/C16H15N5O2S/c1-24(22,23)12-5-2-10(3-6-12)13-9-20-16(18)15(21-13)11-4-7-14(17)19-8-11/h2-9H,1H3,(H2,17,19)(H2,18,20)
InChIKeyJTCHMTDHUXPBDW-UHFFFAOYSA-N
XLogP1.77
TPSA124.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
CID 158251208
3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
CID 126474348
3-amino-N-cyclohexyl-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52937662
3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 130206353
3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 91026645
1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone
CID 135965930
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472018
[4-[[3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carbonyl]amino]phenyl]sulfonylmethylphosphonic acid
CID 166681364
[4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71711914
3-(2,1,3-benzoxadiazol-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311565
3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311217
2-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 158428005

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (CID 162647092) is 3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(N)nc3)n2)cc1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is JTCHMTDHUXPBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-24(22,23)12-5-2-10(3-6-12)13-9-20-16(18)15(21-13)11-4-7-14(17)19-8-11/h2-9H,1H3,(H2,17,19)(H2,18,20).
What are the key properties of 3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 341.40 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 162647092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).