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

C16H12F3N5O — CID 129032855

IUPAC5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-fluorophenyl)cyclopropyl]pyrimidin-2-amine
SMILESFc1ccccc1C1(Nc2ncc(-c3nnc(C(F)F)o3)cn2)CC1
InChIInChI=1S/C16H12F3N5O/c17-11-4-2-1-3-10(11)16(5-6-16)22-15-20-7-9(8-21-15)13-23-24-14(25-13)12(18)19/h1-4,7-8,12H,5-6H2,(H,20,21,22)
InChIKeyYPLIKXPJWPAMHH-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.70
Rot. Bonds5

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

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-fluorophenyl)cyclopropyl]pyrimidin-2-amine (PubChem CID 129032855) 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-(2-fluorophenyl)cyclopropyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-fluorophenyl)cyclopropyl]pyrimidin-2-amine
PubChem CID129032855
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-fluorophenyl)cyclopropyl]pyrimidin-2-amine
SMILESFc1ccccc1C1(Nc2ncc(-c3nnc(C(F)F)o3)cn2)CC1
InChIInChI=1S/C16H12F3N5O/c17-11-4-2-1-3-10(11)16(5-6-16)22-15-20-7-9(8-21-15)13-23-24-14(25-13)12(18)19/h1-4,7-8,12H,5-6H2,(H,20,21,22)
InChIKeyYPLIKXPJWPAMHH-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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Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-fluorophenyl)cyclopropyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-fluorophenyl)cyclopropyl]pyrimidin-2-amine (CID 129032855) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-fluorophenyl)cyclopropyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-fluorophenyl)cyclopropyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-fluorophenyl)cyclopropyl]pyrimidin-2-amine is Fc1ccccc1C1(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-fluorophenyl)cyclopropyl]pyrimidin-2-amine?
The InChIKey is YPLIKXPJWPAMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-11-4-2-1-3-10(11)16(5-6-16)22-15-20-7-9(8-21-15)13-23-24-14(25-13)12(18)19/h1-4,7-8,12H,5-6H2,(H,20,21,22).
What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-fluorophenyl)cyclopropyl]pyrimidin-2-amine?
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-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-(2-fluorophenyl)cyclopropyl]pyrimidin-2-amine is sourced from PubChem (CID 129032855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).