3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide

C17H16N6O3S — CID 156817269

IUPAC3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2cnc(N)c(C(=O)Nc3cnc(S(C)(=O)=O)nc3)n2)cc1
InChIInChI=1S/C17H16N6O3S/c1-10-3-5-11(6-4-10)13-9-19-15(18)14(23-13)16(24)22-12-7-20-17(21-8-12)27(2,25)26/h3-9H,1-2H3,(H2,18,19)(H,22,24)
InChIKeyIUNIVENWAFXSKV-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.48
Rot. Bonds4

About 3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide

3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide (PubChem CID 156817269) has the molecular formula C17H16N6O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is 3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide
PubChem CID156817269
Molecular FormulaC17H16N6O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC Name3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2cnc(N)c(C(=O)Nc3cnc(S(C)(=O)=O)nc3)n2)cc1
InChIInChI=1S/C17H16N6O3S/c1-10-3-5-11(6-4-10)13-9-19-15(18)14(23-13)16(24)22-12-7-20-17(21-8-12)27(2,25)26/h3-9H,1-2H3,(H2,18,19)(H,22,24)
InChIKeyIUNIVENWAFXSKV-UHFFFAOYSA-N
XLogP1.48
TPSA140.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide (CID 156817269) is 3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide is Cc1ccc(-c2cnc(N)c(C(=O)Nc3cnc(S(C)(=O)=O)nc3)n2)cc1.
What is the InChIKey of 3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide?
The InChIKey is IUNIVENWAFXSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S/c1-10-3-5-11(6-4-10)13-9-19-15(18)14(23-13)16(24)22-12-7-20-17(21-8-12)27(2,25)26/h3-9H,1-2H3,(H2,18,19)(H,22,24).
What are the key properties of 3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide?
3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methylphenyl)-N-(2-methylsulfonylpyrimidin-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 156817269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).