5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

C19H23F3N6O2 — CID 59507535

IUPAC5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(OC3CCNCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H23F3N6O2/c20-19(21,22)14-9-16(23)25-11-13(14)15-10-17(30-12-1-3-24-4-2-12)27-18(26-15)28-5-7-29-8-6-28/h9-12,24H,1-8H2,(H2,23,25)
InChIKeyGPSNQTAHWLFUMS-UHFFFAOYSA-N
MW424.43 g/mol
LogP2.11
Rot. Bonds4

About 5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507535) has the molecular formula C19H23F3N6O2 and a molecular weight of 424.43 g/mol. Its IUPAC name is 5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID59507535
Molecular FormulaC19H23F3N6O2
Molecular Weight424.43 g/mol
Exact Mass424.18
IUPAC Name5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(OC3CCNCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H23F3N6O2/c20-19(21,22)14-9-16(23)25-11-13(14)15-10-17(30-12-1-3-24-4-2-12)27-18(26-15)28-5-7-29-8-6-28/h9-12,24H,1-8H2,(H2,23,25)
InChIKeyGPSNQTAHWLFUMS-UHFFFAOYSA-N
XLogP2.11
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 59507535) is 5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(OC3CCNCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GPSNQTAHWLFUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O2/c20-19(21,22)14-9-16(23)25-11-13(14)15-10-17(30-12-1-3-24-4-2-12)27-18(26-15)28-5-7-29-8-6-28/h9-12,24H,1-8H2,(H2,23,25).
What are the key properties of 5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 424.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-yl-6-piperidin-4-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).