4-chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine

C22H23ClFN5O3S — CID 121428447

IUPAC4-chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
SMILESCC(C)(c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C22H23ClFN5O3S/c1-22(2,33(30,31)15-5-3-4-14(24)10-15)19-12-18(16-13-26-20(25)11-17(16)23)27-21(28-19)29-6-8-32-9-7-29/h3-5,10-13H,6-9H2,1-2H3,(H2,25,26)
InChIKeyIVYFBNRQFAMSMV-UHFFFAOYSA-N
MW491.98 g/mol
LogP3.46
Rot. Bonds5

About 4-chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine

4-chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine (PubChem CID 121428447) has the molecular formula C22H23ClFN5O3S and a molecular weight of 491.98 g/mol. Its IUPAC name is 4-chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
PubChem CID121428447
Molecular FormulaC22H23ClFN5O3S
Molecular Weight491.98 g/mol
Exact Mass491.12
IUPAC Name4-chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
SMILESCC(C)(c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C22H23ClFN5O3S/c1-22(2,33(30,31)15-5-3-4-14(24)10-15)19-12-18(16-13-26-20(25)11-17(16)23)27-21(28-19)29-6-8-32-9-7-29/h3-5,10-13H,6-9H2,1-2H3,(H2,25,26)
InChIKeyIVYFBNRQFAMSMV-UHFFFAOYSA-N
XLogP3.46
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.98
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The IUPAC name of 4-chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine (CID 121428447) is 4-chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The canonical SMILES for 4-chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine is CC(C)(c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 4-chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The InChIKey is IVYFBNRQFAMSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN5O3S/c1-22(2,33(30,31)15-5-3-4-14(24)10-15)19-12-18(16-13-26-20(25)11-17(16)23)27-21(28-19)29-6-8-32-9-7-29/h3-5,10-13H,6-9H2,1-2H3,(H2,25,26).
What are the key properties of 4-chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
4-chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine has a molecular weight of 491.98 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 121428447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).