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

C14H13ClF3N5O — CID 59507529

IUPAC5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(Cl)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C14H13ClF3N5O/c15-11-6-10(21-13(22-11)23-1-3-24-4-2-23)8-7-20-12(19)5-9(8)14(16,17)18/h5-7H,1-4H2,(H2,19,20)
InChIKeyILLRAZLNZVSGBY-UHFFFAOYSA-N
MW359.74 g/mol
LogP2.63
Rot. Bonds2

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

5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507529) has the molecular formula C14H13ClF3N5O and a molecular weight of 359.74 g/mol. Its IUPAC name is 5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID59507529
Molecular FormulaC14H13ClF3N5O
Molecular Weight359.74 g/mol
Exact Mass359.08
IUPAC Name5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(Cl)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C14H13ClF3N5O/c15-11-6-10(21-13(22-11)23-1-3-24-4-2-23)8-7-20-12(19)5-9(8)14(16,17)18/h5-7H,1-4H2,(H2,19,20)
InChIKeyILLRAZLNZVSGBY-UHFFFAOYSA-N
XLogP2.63
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 59507529) is 5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(Cl)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ILLRAZLNZVSGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N5O/c15-11-6-10(21-13(22-11)23-1-3-24-4-2-23)8-7-20-12(19)5-9(8)14(16,17)18/h5-7H,1-4H2,(H2,19,20).
What are the key properties of 5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 359.74 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).