4-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine

C17H22FN5O3S — CID 121428413

IUPAC4-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
SMILESCC(C)(c1cc(-c2cnc(N)cc2F)nc(N2CCOCC2)n1)S(C)(=O)=O
InChIInChI=1S/C17H22FN5O3S/c1-17(2,27(3,24)25)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)23-4-6-26-7-5-23/h8-10H,4-7H2,1-3H3,(H2,19,20)
InChIKeyHJYKEVNNEZVQAE-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.38
Rot. Bonds4

About 4-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine

4-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine (PubChem CID 121428413) has the molecular formula C17H22FN5O3S and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
PubChem CID121428413
Molecular FormulaC17H22FN5O3S
Molecular Weight395.46 g/mol
Exact Mass395.14
IUPAC Name4-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
SMILESCC(C)(c1cc(-c2cnc(N)cc2F)nc(N2CCOCC2)n1)S(C)(=O)=O
InChIInChI=1S/C17H22FN5O3S/c1-17(2,27(3,24)25)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)23-4-6-26-7-5-23/h8-10H,4-7H2,1-3H3,(H2,19,20)
InChIKeyHJYKEVNNEZVQAE-UHFFFAOYSA-N
XLogP1.38
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The IUPAC name of 4-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine (CID 121428413) is 4-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The canonical SMILES for 4-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine is CC(C)(c1cc(-c2cnc(N)cc2F)nc(N2CCOCC2)n1)S(C)(=O)=O.
What is the InChIKey of 4-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The InChIKey is HJYKEVNNEZVQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O3S/c1-17(2,27(3,24)25)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)23-4-6-26-7-5-23/h8-10H,4-7H2,1-3H3,(H2,19,20).
What are the key properties of 4-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
4-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine has a molecular weight of 395.46 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 121428413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).