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

C15H18N4O2S — CID 110271312

IUPAC2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2)cc(C2CCN2S(C)(=O)=O)n1
InChIInChI=1S/C15H18N4O2S/c1-11-16-13(14-8-9-19(14)22(2,20)21)10-15(17-11)18-12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyGXMWZLILRPKKGD-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.24
Rot. Bonds4

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

2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine (PubChem CID 110271312) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine
PubChem CID110271312
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2)cc(C2CCN2S(C)(=O)=O)n1
InChIInChI=1S/C15H18N4O2S/c1-11-16-13(14-8-9-19(14)22(2,20)21)10-15(17-11)18-12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyGXMWZLILRPKKGD-UHFFFAOYSA-N
XLogP2.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine (CID 110271312) is 2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine is Cc1nc(Nc2ccccc2)cc(C2CCN2S(C)(=O)=O)n1.
What is the InChIKey of 2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine?
The InChIKey is GXMWZLILRPKKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-11-16-13(14-8-9-19(14)22(2,20)21)10-15(17-11)18-12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine?
2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine has a molecular weight of 318.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 110271312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).