4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine

C15H16ClF2N5O3S — CID 121428443

IUPAC4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
SMILESCS(=O)(=O)C(F)(F)c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C15H16ClF2N5O3S/c1-27(24,25)15(17,18)12-7-11(9-8-20-13(19)6-10(9)16)21-14(22-12)23-2-4-26-5-3-23/h6-8H,2-5H2,1H3,(H2,19,20)
InChIKeyLJYGIFPIOTUYHE-UHFFFAOYSA-N
MW419.84 g/mol
LogP1.70
Rot. Bonds4

About 4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine

4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine (PubChem CID 121428443) has the molecular formula C15H16ClF2N5O3S and a molecular weight of 419.84 g/mol. Its IUPAC name is 4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
PubChem CID121428443
Molecular FormulaC15H16ClF2N5O3S
Molecular Weight419.84 g/mol
Exact Mass419.06
IUPAC Name4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
SMILESCS(=O)(=O)C(F)(F)c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C15H16ClF2N5O3S/c1-27(24,25)15(17,18)12-7-11(9-8-20-13(19)6-10(9)16)21-14(22-12)23-2-4-26-5-3-23/h6-8H,2-5H2,1H3,(H2,19,20)
InChIKeyLJYGIFPIOTUYHE-UHFFFAOYSA-N
XLogP1.70
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.84
LogP ≤ 51.70
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-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The IUPAC name of 4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine (CID 121428443) is 4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The canonical SMILES for 4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine is CS(=O)(=O)C(F)(F)c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
The InChIKey is LJYGIFPIOTUYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N5O3S/c1-27(24,25)15(17,18)12-7-11(9-8-20-13(19)6-10(9)16)21-14(22-12)23-2-4-26-5-3-23/h6-8H,2-5H2,1H3,(H2,19,20).
What are the key properties of 4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine?
4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine has a molecular weight of 419.84 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 121428443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).