N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine

C15H18FN3O3S — CID 58061796

IUPACN-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine
SMILESCc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C
InChIInChI=1S/C15H18FN3O3S/c1-9(2)22-15-10(3)14(17-8-18-15)19-13-6-5-11(7-12(13)16)23(4,20)21/h5-9H,1-4H3,(H,17,18,19)
InChIKeyURGPIDHESGKXAI-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.86
Rot. Bonds5

About N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine

N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 58061796) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine
PubChem CID58061796
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC NameN-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine
SMILESCc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C
InChIInChI=1S/C15H18FN3O3S/c1-9(2)22-15-10(3)14(17-8-18-15)19-13-6-5-11(7-12(13)16)23(4,20)21/h5-9H,1-4H3,(H,17,18,19)
InChIKeyURGPIDHESGKXAI-UHFFFAOYSA-N
XLogP2.86
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine (CID 58061796) is N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine is Cc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C.
What is the InChIKey of N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is URGPIDHESGKXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-9(2)22-15-10(3)14(17-8-18-15)19-13-6-5-11(7-12(13)16)23(4,20)21/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine?
N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 339.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 58061796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).