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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Related Compounds

N-(2-fluoro-4-methylsulfonylphenyl)-5-methoxy-6-propan-2-yloxypyrimidin-4-amine
CID 58414503
N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine
CID 58061798
N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine
CID 58414528
6-[(7-cyclopropylsulfonyl-2,4-dimethyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl)oxy]-N-(2-fluoro-4-methylsulfonylphenyl)-5-methylpyrimidin-4-amine
CID 58414906
N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-[[(1R,5S)-9-(3,3,3-trifluoro-2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]oxy]pyrimidin-4-amine
CID 157364433
5-ethyl-N-(2-fluoro-4-methylsulfonylphenyl)-3,4-dimethylpyridin-2-amine
CID 90863901
4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152519
tert-butyl 3-[6-(2-fluoro-4-methylsulfonylanilino)-5-methylpyrimidin-4-yl]oxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 58414520
(1-methylcyclopropyl) 2-[6-(2-fluoro-4-methylsulfonylanilino)-5-methylpyrimidin-4-yl]oxy-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 58414589
[4-[[[6-(2-fluoro-4-methylsulfonylanilino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]methyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174532243
(1-methylcyclobutyl) 8-[[6-(2-fluoro-4-methylsulfonylanilino)-5-methylpyrimidin-4-yl]oxymethyl]-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 58414696
N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-9-azabicyclo[4.2.1]nonan-9-yl]pyrimidin-4-amine
CID 91035234

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).