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

C17H11F6N5O2 — CID 135321055

IUPAC5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine
SMILESFc1ccc(OC(F)(F)F)cc1C1(Nc2ncc(-c3nnc(C(F)F)o3)cn2)CC1
InChIInChI=1S/C17H11F6N5O2/c18-11-2-1-9(30-17(21,22)23)5-10(11)16(3-4-16)26-15-24-6-8(7-25-15)13-27-28-14(29-13)12(19)20/h1-2,5-7,12H,3-4H2,(H,24,25,26)
InChIKeyVLPMSVQBLSBJMH-UHFFFAOYSA-N
MW431.30 g/mol
LogP4.60
Rot. Bonds6

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

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine (PubChem CID 135321055) has the molecular formula C17H11F6N5O2 and a molecular weight of 431.30 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine
PubChem CID135321055
Molecular FormulaC17H11F6N5O2
Molecular Weight431.30 g/mol
Exact Mass431.08
IUPAC Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine
SMILESFc1ccc(OC(F)(F)F)cc1C1(Nc2ncc(-c3nnc(C(F)F)o3)cn2)CC1
InChIInChI=1S/C17H11F6N5O2/c18-11-2-1-9(30-17(21,22)23)5-10(11)16(3-4-16)26-15-24-6-8(7-25-15)13-27-28-14(29-13)12(19)20/h1-2,5-7,12H,3-4H2,(H,24,25,26)
InChIKeyVLPMSVQBLSBJMH-UHFFFAOYSA-N
XLogP4.60
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.30
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine (CID 135321055) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine is Fc1ccc(OC(F)(F)F)cc1C1(Nc2ncc(-c3nnc(C(F)F)o3)cn2)CC1.
What is the InChIKey of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine?
The InChIKey is VLPMSVQBLSBJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N5O2/c18-11-2-1-9(30-17(21,22)23)5-10(11)16(3-4-16)26-15-24-6-8(7-25-15)13-27-28-14(29-13)12(19)20/h1-2,5-7,12H,3-4H2,(H,24,25,26).
What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine?
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine has a molecular weight of 431.30 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine is sourced from PubChem (CID 135321055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).