3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine

C16H21N5O2S — CID 126474348

IUPAC3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCN1CCN(c2nc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)CC1
InChIInChI=1S/C16H21N5O2S/c1-20-7-9-21(10-8-20)16-15(17)18-11-14(19-16)12-3-5-13(6-4-12)24(2,22)23/h3-6,11H,7-10H2,1-2H3,(H2,17,18)
InChIKeyDADMVTDLAAXKLJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP0.88
Rot. Bonds3

About 3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine

3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (PubChem CID 126474348) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
PubChem CID126474348
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCN1CCN(c2nc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)CC1
InChIInChI=1S/C16H21N5O2S/c1-20-7-9-21(10-8-20)16-15(17)18-11-14(19-16)12-3-5-13(6-4-12)24(2,22)23/h3-6,11H,7-10H2,1-2H3,(H2,17,18)
InChIKeyDADMVTDLAAXKLJ-UHFFFAOYSA-N
XLogP0.88
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-amine
CID 11694866
3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
CID 162647092
3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-5-yl)pyrazin-2-amine
CID 11716019
3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
CID 158251208
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-amino-N-(cyanomethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;dihydrochloride
CID 87503599
3-amino-N-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
CID 10367481
N-(2-acetamidoethyl)-1-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]pyrazole-4-carboxamide
CID 176895391
3-amino-N-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride
CID 10367480
3-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10345359
4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol
CID 155263877

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (CID 126474348) is 3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is CN1CCN(c2nc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is DADMVTDLAAXKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-20-7-9-21(10-8-20)16-15(17)18-11-14(19-16)12-3-5-13(6-4-12)24(2,22)23/h3-6,11H,7-10H2,1-2H3,(H2,17,18).
What are the key properties of 3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 347.44 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 126474348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).