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

C16H11F4N5O — CID 129032976

IUPAC5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3,4-difluorophenyl)cyclopropyl]pyrimidin-2-amine
SMILESFc1ccc(C2(Nc3ncc(-c4nnc(C(F)F)o4)cn3)CC2)cc1F
InChIInChI=1S/C16H11F4N5O/c17-10-2-1-9(5-11(10)18)16(3-4-16)23-15-21-6-8(7-22-15)13-24-25-14(26-13)12(19)20/h1-2,5-7,12H,3-4H2,(H,21,22,23)
InChIKeyURIYDONQDHNSLI-UHFFFAOYSA-N
MW365.29 g/mol
LogP3.84
Rot. Bonds5

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

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3,4-difluorophenyl)cyclopropyl]pyrimidin-2-amine (PubChem CID 129032976) has the molecular formula C16H11F4N5O and a molecular weight of 365.29 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3,4-difluorophenyl)cyclopropyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3,4-difluorophenyl)cyclopropyl]pyrimidin-2-amine
PubChem CID129032976
Molecular FormulaC16H11F4N5O
Molecular Weight365.29 g/mol
Exact Mass365.09
IUPAC Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3,4-difluorophenyl)cyclopropyl]pyrimidin-2-amine
SMILESFc1ccc(C2(Nc3ncc(-c4nnc(C(F)F)o4)cn3)CC2)cc1F
InChIInChI=1S/C16H11F4N5O/c17-10-2-1-9(5-11(10)18)16(3-4-16)23-15-21-6-8(7-22-15)13-24-25-14(26-13)12(19)20/h1-2,5-7,12H,3-4H2,(H,21,22,23)
InChIKeyURIYDONQDHNSLI-UHFFFAOYSA-N
XLogP3.84
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 53.84
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-(3,4-difluorophenyl)cyclopropyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3,4-difluorophenyl)cyclopropyl]pyrimidin-2-amine (CID 129032976) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3,4-difluorophenyl)cyclopropyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3,4-difluorophenyl)cyclopropyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3,4-difluorophenyl)cyclopropyl]pyrimidin-2-amine is Fc1ccc(C2(Nc3ncc(-c4nnc(C(F)F)o4)cn3)CC2)cc1F.
What is the InChIKey of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3,4-difluorophenyl)cyclopropyl]pyrimidin-2-amine?
The InChIKey is URIYDONQDHNSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N5O/c17-10-2-1-9(5-11(10)18)16(3-4-16)23-15-21-6-8(7-22-15)13-24-25-14(26-13)12(19)20/h1-2,5-7,12H,3-4H2,(H,21,22,23).
What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3,4-difluorophenyl)cyclopropyl]pyrimidin-2-amine?
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3,4-difluorophenyl)cyclopropyl]pyrimidin-2-amine has a molecular weight of 365.29 g/mol, XLogP of 3.84, 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-(3,4-difluorophenyl)cyclopropyl]pyrimidin-2-amine is sourced from PubChem (CID 129032976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).