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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Related Compounds

(3R,4S)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 16750059
Mmv-048
CID 53311393
(3R,4R)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 16058650
5-(2-Methylpropane-2-sulfonyl)-2-(pyridin-2-yl)pyrimidin-4-amine
CID 2778673
2,4-Diaminopyrimidine-based antagonist, 4c
CID 11538533
2,4-Diaminopyrimidine derivative, 11c
CID 11538534
2,4-Diaminopyrimidine derivative, 13
CID 11690097
1-[4-[4-[2-[3-(Diethylsulfamoyl)anilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]-3-methylurea
CID 71456728
3-(6-Methyl-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311392
Pyrrolidine-constrained phenethylamine 29h
CID 23647111
5-{3-[(4-{3-[4-(1-Methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine
CID 56955955
2-(Pyridin-2-yl)-4-(m-tolylthio)pyrimidine
CID 11460152

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).