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

C15H18FN3O2S — CID 58061798

IUPACN-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1C(C)C
InChIInChI=1S/C15H18FN3O2S/c1-9(2)14-10(3)15(18-8-17-14)19-13-6-5-11(7-12(13)16)22(4,20)21/h5-9H,1-4H3,(H,17,18,19)
InChIKeyNPFLCMGBEDQVIN-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.19
Rot. Bonds4

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

N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 58061798) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID58061798
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC NameN-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1C(C)C
InChIInChI=1S/C15H18FN3O2S/c1-9(2)14-10(3)15(18-8-17-14)19-13-6-5-11(7-12(13)16)22(4,20)21/h5-9H,1-4H3,(H,17,18,19)
InChIKeyNPFLCMGBEDQVIN-UHFFFAOYSA-N
XLogP3.19
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine (CID 58061798) is N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine is Cc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1C(C)C.
What is the InChIKey of N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is NPFLCMGBEDQVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-9(2)14-10(3)15(18-8-17-14)19-13-6-5-11(7-12(13)16)22(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-ylpyrimidin-4-amine?
N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 323.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 58061798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).