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

C17H20F3N7O2 — CID 25009674

IUPAC5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C17H20F3N7O2/c18-17(19,20)14-11(10-22-16(21)25-14)15-23-12(26-1-5-28-6-2-26)9-13(24-15)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22,25)
InChIKeyBVCDJZXNLFKRFG-UHFFFAOYSA-N
MW411.39 g/mol
LogP1.21
Rot. Bonds3

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

5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 25009674) has the molecular formula C17H20F3N7O2 and a molecular weight of 411.39 g/mol. Its IUPAC name is 5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID25009674
Molecular FormulaC17H20F3N7O2
Molecular Weight411.39 g/mol
Exact Mass411.16
IUPAC Name5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C17H20F3N7O2/c18-17(19,20)14-11(10-22-16(21)25-14)15-23-12(26-1-5-28-6-2-26)9-13(24-15)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22,25)
InChIKeyBVCDJZXNLFKRFG-UHFFFAOYSA-N
XLogP1.21
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 25009674) is 5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)c(C(F)(F)F)n1.
What is the InChIKey of 5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is BVCDJZXNLFKRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N7O2/c18-17(19,20)14-11(10-22-16(21)25-14)15-23-12(26-1-5-28-6-2-26)9-13(24-15)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22,25).
What are the key properties of 5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 411.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 25009674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).