N-methyl-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine

C22H19N5O2S — CID 67330255

IUPACN-methyl-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2cncc(-c3cccc(S(C)(=O)=O)c3)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C22H19N5O2S/c1-23-21-12-20(26-22(27-21)19-8-3-4-9-25-19)17-10-16(13-24-14-17)15-6-5-7-18(11-15)30(2,28)29/h3-14H,1-2H3,(H,23,26,27)
InChIKeyAITPBTNCMWDQIJ-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.71
Rot. Bonds5

About N-methyl-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine

N-methyl-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 67330255) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-methyl-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID67330255
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC NameN-methyl-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2cncc(-c3cccc(S(C)(=O)=O)c3)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C22H19N5O2S/c1-23-21-12-20(26-22(27-21)19-8-3-4-9-25-19)17-10-16(13-24-14-17)15-6-5-7-18(11-15)30(2,28)29/h3-14H,1-2H3,(H,23,26,27)
InChIKeyAITPBTNCMWDQIJ-UHFFFAOYSA-N
XLogP3.71
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridine-3-sulfonamide
CID 51030730
(3R,4S)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 16750059
(3R,4R)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 16058650
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
4-amino-6-[[(1S)-1-(6-fluoro-4-methylsulfonyl-3-phenylquinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 49872927
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-4-yl)pyrimidin-4-amine
CID 4193543
Pyrrolidine-constrained phenethylamine 29h
CID 23647111
Arylpyrazole, 25
CID 44143425
5-{3-[(4-{3-[4-(1-Methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine
CID 56955955
N-[[4-[[[2-(cyclopropylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]cyclohexyl]methyl]-3-fluorobenzenesulfonamide
CID 118716401
N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 118716417
N-(cyclopropylmethyl)-4-[7-[(dimethylamino)methyl]-2-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 145949251

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine (CID 67330255) is N-methyl-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine is CNc1cc(-c2cncc(-c3cccc(S(C)(=O)=O)c3)c2)nc(-c2ccccn2)n1.
What is the InChIKey of N-methyl-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is AITPBTNCMWDQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-23-21-12-20(26-22(27-21)19-8-3-4-9-25-19)17-10-16(13-24-14-17)15-6-5-7-18(11-15)30(2,28)29/h3-14H,1-2H3,(H,23,26,27).
What are the key properties of N-methyl-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine?
N-methyl-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 417.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 67330255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).