2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine

C16H20N4O2S — CID 110271544

IUPAC2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2C)cc(C2CCN2S(C)(=O)=O)n1
InChIInChI=1S/C16H20N4O2S/c1-11-6-4-5-7-13(11)19-16-10-14(17-12(2)18-16)15-8-9-20(15)23(3,21)22/h4-7,10,15H,8-9H2,1-3H3,(H,17,18,19)
InChIKeyFKQYARQXMQRKGH-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.54
Rot. Bonds4

About 2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine

2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine (PubChem CID 110271544) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine
PubChem CID110271544
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2C)cc(C2CCN2S(C)(=O)=O)n1
InChIInChI=1S/C16H20N4O2S/c1-11-6-4-5-7-13(11)19-16-10-14(17-12(2)18-16)15-8-9-20(15)23(3,21)22/h4-7,10,15H,8-9H2,1-3H3,(H,17,18,19)
InChIKeyFKQYARQXMQRKGH-UHFFFAOYSA-N
XLogP2.54
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine
CID 110271312
N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine
CID 110271569
N-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine
CID 95846977
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110255470
1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol
CID 110271366
2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol
CID 95846639
6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 110113647
4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one
CID 110271810
4-methyl-2-[2-methyl-6-(1-methylsulfonylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazole
CID 110100445
6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine
CID 110269570
5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 125002477
N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113045649

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine (CID 110271544) is 2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine is Cc1nc(Nc2ccccc2C)cc(C2CCN2S(C)(=O)=O)n1.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine?
The InChIKey is FKQYARQXMQRKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-6-4-5-7-13(11)19-16-10-14(17-12(2)18-16)15-8-9-20(15)23(3,21)22/h4-7,10,15H,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine?
2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine has a molecular weight of 332.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 110271544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).