5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

C18H21F3N6O2 — CID 59507810

IUPAC5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(OC3CCNC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H21F3N6O2/c19-18(20,21)13-7-15(22)24-10-12(13)14-8-16(29-11-1-2-23-9-11)26-17(25-14)27-3-5-28-6-4-27/h7-8,10-11,23H,1-6,9H2,(H2,22,24)
InChIKeyKJCYBNURWMAKHV-UHFFFAOYSA-N
MW410.40 g/mol
LogP1.72
Rot. Bonds4

About 5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507810) has the molecular formula C18H21F3N6O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is 5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID59507810
Molecular FormulaC18H21F3N6O2
Molecular Weight410.40 g/mol
Exact Mass410.17
IUPAC Name5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(OC3CCNC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H21F3N6O2/c19-18(20,21)13-7-15(22)24-10-12(13)14-8-16(29-11-1-2-23-9-11)26-17(25-14)27-3-5-28-6-4-27/h7-8,10-11,23H,1-6,9H2,(H2,22,24)
InChIKeyKJCYBNURWMAKHV-UHFFFAOYSA-N
XLogP1.72
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 51.72
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-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 59507810) is 5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(OC3CCNC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KJCYBNURWMAKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O2/c19-18(20,21)13-7-15(22)24-10-12(13)14-8-16(29-11-1-2-23-9-11)26-17(25-14)27-3-5-28-6-4-27/h7-8,10-11,23H,1-6,9H2,(H2,22,24).
What are the key properties of 5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 410.40 g/mol, XLogP of 1.72, 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-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).