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

C17H16N4O3S — CID 71711841

IUPAC3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCOc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1
InChIInChI=1S/C17H16N4O3S/c1-24-15-8-5-12(9-19-15)16-17(18)20-10-14(21-16)11-3-6-13(7-4-11)25(2,22)23/h3-10H,1-2H3,(H2,18,20)
InChIKeyMSGBHWXJZXCMDF-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.20
Rot. Bonds4

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

3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (PubChem CID 71711841) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
PubChem CID71711841
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCOc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1
InChIInChI=1S/C17H16N4O3S/c1-24-15-8-5-12(9-19-15)16-17(18)20-10-14(21-16)11-3-6-13(7-4-11)25(2,22)23/h3-10H,1-2H3,(H2,18,20)
InChIKeyMSGBHWXJZXCMDF-UHFFFAOYSA-N
XLogP2.20
TPSA108.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (CID 71711841) is 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is COc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is MSGBHWXJZXCMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-24-15-8-5-12(9-19-15)16-17(18)20-10-14(21-16)11-3-6-13(7-4-11)25(2,22)23/h3-10H,1-2H3,(H2,18,20).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 356.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 71711841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).