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

C15H17FN4O2S — CID 110271569

IUPACN-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(F)cc2)cc(C2CCN2S(C)(=O)=O)n1
InChIInChI=1S/C15H17FN4O2S/c1-10-17-13(14-7-8-20(14)23(2,21)22)9-15(18-10)19-12-5-3-11(16)4-6-12/h3-6,9,14H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyABVRQNLUNOTICU-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.37
Rot. Bonds4

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

N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine (PubChem CID 110271569) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine
PubChem CID110271569
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC NameN-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(F)cc2)cc(C2CCN2S(C)(=O)=O)n1
InChIInChI=1S/C15H17FN4O2S/c1-10-17-13(14-7-8-20(14)23(2,21)22)9-15(18-10)19-12-5-3-11(16)4-6-12/h3-6,9,14H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyABVRQNLUNOTICU-UHFFFAOYSA-N
XLogP2.37
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine (CID 110271569) is N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine is Cc1nc(Nc2ccc(F)cc2)cc(C2CCN2S(C)(=O)=O)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine?
The InChIKey is ABVRQNLUNOTICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-10-17-13(14-7-8-20(14)23(2,21)22)9-15(18-10)19-12-5-3-11(16)4-6-12/h3-6,9,14H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine?
N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine has a molecular weight of 336.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 110271569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).