5-(5-chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

C18H20ClF3N6O2 — CID 59507504

IUPAC5-(5-chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)c2Cl)cn1
InChIInChI=1S/C18H20ClF3N6O2/c19-14-15(11-10-24-13(23)9-12(11)18(20,21)22)25-17(28-3-7-30-8-4-28)26-16(14)27-1-5-29-6-2-27/h9-10H,1-8H2,(H2,23,24)
InChIKeyKEFPZPQECSDQMV-UHFFFAOYSA-N
MW444.85 g/mol
LogP2.47
Rot. Bonds3

About 5-(5-chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

5-(5-chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507504) has the molecular formula C18H20ClF3N6O2 and a molecular weight of 444.85 g/mol. Its IUPAC name is 5-(5-chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(5-chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID59507504
Molecular FormulaC18H20ClF3N6O2
Molecular Weight444.85 g/mol
Exact Mass444.13
IUPAC Name5-(5-chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)c2Cl)cn1
InChIInChI=1S/C18H20ClF3N6O2/c19-14-15(11-10-24-13(23)9-12(11)18(20,21)22)25-17(28-3-7-30-8-4-28)26-16(14)27-1-5-29-6-2-27/h9-10H,1-8H2,(H2,23,24)
InChIKeyKEFPZPQECSDQMV-UHFFFAOYSA-N
XLogP2.47
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.85
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(5-chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 59507504) is 5-(5-chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(5-chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(5-chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)c2Cl)cn1.
What is the InChIKey of 5-(5-chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KEFPZPQECSDQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N6O2/c19-14-15(11-10-24-13(23)9-12(11)18(20,21)22)25-17(28-3-7-30-8-4-28)26-16(14)27-1-5-29-6-2-27/h9-10H,1-8H2,(H2,23,24).
What are the key properties of 5-(5-chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
5-(5-chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 444.85 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).