5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine

C17H12F5N5O — CID 129032790

IUPAC5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine
SMILESFC(F)c1nnc(-c2cnc(NC3(c4ccc(C(F)(F)F)cc4)CC3)nc2)o1
InChIInChI=1S/C17H12F5N5O/c18-12(19)14-27-26-13(28-14)9-7-23-15(24-8-9)25-16(5-6-16)10-1-3-11(4-2-10)17(20,21)22/h1-4,7-8,12H,5-6H2,(H,23,24,25)
InChIKeyFASUTFGXOCYZBQ-UHFFFAOYSA-N
MW397.31 g/mol
LogP4.58
Rot. Bonds5

About 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine (PubChem CID 129032790) has the molecular formula C17H12F5N5O and a molecular weight of 397.31 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine
PubChem CID129032790
Molecular FormulaC17H12F5N5O
Molecular Weight397.31 g/mol
Exact Mass397.10
IUPAC Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine
SMILESFC(F)c1nnc(-c2cnc(NC3(c4ccc(C(F)(F)F)cc4)CC3)nc2)o1
InChIInChI=1S/C17H12F5N5O/c18-12(19)14-27-26-13(28-14)9-7-23-15(24-8-9)25-16(5-6-16)10-1-3-11(4-2-10)17(20,21)22/h1-4,7-8,12H,5-6H2,(H,23,24,25)
InChIKeyFASUTFGXOCYZBQ-UHFFFAOYSA-N
XLogP4.58
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine (CID 129032790) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine is FC(F)c1nnc(-c2cnc(NC3(c4ccc(C(F)(F)F)cc4)CC3)nc2)o1.
What is the InChIKey of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine?
The InChIKey is FASUTFGXOCYZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F5N5O/c18-12(19)14-27-26-13(28-14)9-7-23-15(24-8-9)25-16(5-6-16)10-1-3-11(4-2-10)17(20,21)22/h1-4,7-8,12H,5-6H2,(H,23,24,25).
What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine?
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine has a molecular weight of 397.31 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine is sourced from PubChem (CID 129032790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).