N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine

C23H24F3N5O2 — CID 72725513

IUPACN-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
SMILESCc1cnc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H24F3N5O2/c1-14-10-28-22(30-21(14)17-4-7-19(8-5-17)33-23(24,25)26)29-18-6-9-20(27-11-18)31-12-15(2)32-16(3)13-31/h4-11,15-16H,12-13H2,1-3H3,(H,28,29,30)/t15-,16+
InChIKeyKWNMDOSFAGCWDL-IYBDPMFKSA-N
MW459.47 g/mol
LogP5.10
Rot. Bonds5

About N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine

N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine (PubChem CID 72725513) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
PubChem CID72725513
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC NameN-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
SMILESCc1cnc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H24F3N5O2/c1-14-10-28-22(30-21(14)17-4-7-19(8-5-17)33-23(24,25)26)29-18-6-9-20(27-11-18)31-12-15(2)32-16(3)13-31/h4-11,15-16H,12-13H2,1-3H3,(H,28,29,30)/t15-,16+
InChIKeyKWNMDOSFAGCWDL-IYBDPMFKSA-N
XLogP5.10
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.47
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine (CID 72725513) is N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine is Cc1cnc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)nc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The InChIKey is KWNMDOSFAGCWDL-IYBDPMFKSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c1-14-10-28-22(30-21(14)17-4-7-19(8-5-17)33-23(24,25)26)29-18-6-9-20(27-11-18)31-12-15(2)32-16(3)13-31/h4-11,15-16H,12-13H2,1-3H3,(H,28,29,30)/t15-,16+.
What are the key properties of N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine has a molecular weight of 459.47 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 72725513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).