N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine

C17H17F3N8O — CID 10409040

IUPACN-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
SMILESFC(F)(F)c1nc(NC2CC2)c2ncn(-c3ccnc(N4CCOCC4)n3)c2n1
InChIInChI=1S/C17H17F3N8O/c18-17(19,20)15-25-13(23-10-1-2-10)12-14(26-15)28(9-22-12)11-3-4-21-16(24-11)27-5-7-29-8-6-27/h3-4,9-10H,1-2,5-8H2,(H,23,25,26)
InChIKeyNKVJQLYANHSARO-UHFFFAOYSA-N
MW406.37 g/mol
LogP2.04
Rot. Bonds4

About N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine

N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine (PubChem CID 10409040) has the molecular formula C17H17F3N8O and a molecular weight of 406.37 g/mol. Its IUPAC name is N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
PubChem CID10409040
Molecular FormulaC17H17F3N8O
Molecular Weight406.37 g/mol
Exact Mass406.15
IUPAC NameN-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
SMILESFC(F)(F)c1nc(NC2CC2)c2ncn(-c3ccnc(N4CCOCC4)n3)c2n1
InChIInChI=1S/C17H17F3N8O/c18-17(19,20)15-25-13(23-10-1-2-10)12-14(26-15)28(9-22-12)11-3-4-21-16(24-11)27-5-7-29-8-6-27/h3-4,9-10H,1-2,5-8H2,(H,23,25,26)
InChIKeyNKVJQLYANHSARO-UHFFFAOYSA-N
XLogP2.04
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine (CID 10409040) is N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine is FC(F)(F)c1nc(NC2CC2)c2ncn(-c3ccnc(N4CCOCC4)n3)c2n1.
What is the InChIKey of N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine?
The InChIKey is NKVJQLYANHSARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N8O/c18-17(19,20)15-25-13(23-10-1-2-10)12-14(26-15)28(9-22-12)11-3-4-21-16(24-11)27-5-7-29-8-6-27/h3-4,9-10H,1-2,5-8H2,(H,23,25,26).
What are the key properties of N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine?
N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine has a molecular weight of 406.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-9-(2-morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 10409040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).