4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine

C17H16N4O2S — CID 70671365

IUPAC4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine
SMILESCc1nc(N)nc(-c2cccc(S(C)(=O)=O)c2)c1-c1cccnc1
InChIInChI=1S/C17H16N4O2S/c1-11-15(13-6-4-8-19-10-13)16(21-17(18)20-11)12-5-3-7-14(9-12)24(2,22)23/h3-10H,1-2H3,(H2,18,20,21)
InChIKeyIXQQYVGLFRKXRO-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.50
Rot. Bonds3

About 4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine

4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine (PubChem CID 70671365) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine
PubChem CID70671365
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine
SMILESCc1nc(N)nc(-c2cccc(S(C)(=O)=O)c2)c1-c1cccnc1
InChIInChI=1S/C17H16N4O2S/c1-11-15(13-6-4-8-19-10-13)16(21-17(18)20-11)12-5-3-7-14(9-12)24(2,22)23/h3-10H,1-2H3,(H2,18,20,21)
InChIKeyIXQQYVGLFRKXRO-UHFFFAOYSA-N
XLogP2.50
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine (CID 70671365) is 4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine is Cc1nc(N)nc(-c2cccc(S(C)(=O)=O)c2)c1-c1cccnc1.
What is the InChIKey of 4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is IXQQYVGLFRKXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11-15(13-6-4-8-19-10-13)16(21-17(18)20-11)12-5-3-7-14(9-12)24(2,22)23/h3-10H,1-2H3,(H2,18,20,21).
What are the key properties of 4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine?
4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 340.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 70671365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).