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

C16H12F3N5O — CID 129032895

IUPAC5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine
SMILESFc1cccc(C2(Nc3ncc(-c4nnc(C(F)F)o4)cn3)CC2)c1
InChIInChI=1S/C16H12F3N5O/c17-11-3-1-2-10(6-11)16(4-5-16)22-15-20-7-9(8-21-15)13-23-24-14(25-13)12(18)19/h1-3,6-8,12H,4-5H2,(H,20,21,22)
InChIKeyHCTAUPUREYXKFK-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.70
Rot. Bonds5

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

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine (PubChem CID 129032895) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine
PubChem CID129032895
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine
SMILESFc1cccc(C2(Nc3ncc(-c4nnc(C(F)F)o4)cn3)CC2)c1
InChIInChI=1S/C16H12F3N5O/c17-11-3-1-2-10(6-11)16(4-5-16)22-15-20-7-9(8-21-15)13-23-24-14(25-13)12(18)19/h1-3,6-8,12H,4-5H2,(H,20,21,22)
InChIKeyHCTAUPUREYXKFK-UHFFFAOYSA-N
XLogP3.70
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]pyrimidin-2-amine
CID 135320997
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine;ethane
CID 145295587
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine
CID 129032671
N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032936
N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane
CID 145295765
4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]cyclopropyl]benzonitrile
CID 135321026
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2,4,5-trifluorophenyl)cyclobutyl]pyrimidin-2-amine
CID 129032722
N-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032716
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-ethoxy-2-fluorophenyl)cyclopropyl]pyrimidin-2-amine
CID 147955243
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine
CID 135321055
N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 139332365
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]cyclobutyl]pyrimidin-2-amine;ethane
CID 145295523

Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine (CID 129032895) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine is Fc1cccc(C2(Nc3ncc(-c4nnc(C(F)F)o4)cn3)CC2)c1.
What is the InChIKey of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine?
The InChIKey is HCTAUPUREYXKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-11-3-1-2-10(6-11)16(4-5-16)22-15-20-7-9(8-21-15)13-23-24-14(25-13)12(18)19/h1-3,6-8,12H,4-5H2,(H,20,21,22).
What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine?
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine has a molecular weight of 347.30 g/mol, XLogP of 3.70, 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-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine is sourced from PubChem (CID 129032895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).