5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine

C15H11F2N9O — CID 162722655

IUPAC5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cn1
InChIInChI=1S/C15H11F2N9O/c16-11(17)14-23-22-13(27-14)9-3-1-8(2-4-9)7-26-24-12(21-25-26)10-5-19-15(18)20-6-10/h1-6,11H,7H2,(H2,18,19,20)
InChIKeyNFURFSIFZOMOEC-UHFFFAOYSA-N
MW371.31 g/mol
LogP1.75
Rot. Bonds5

About 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine

5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine (PubChem CID 162722655) has the molecular formula C15H11F2N9O and a molecular weight of 371.31 g/mol. Its IUPAC name is 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine
PubChem CID162722655
Molecular FormulaC15H11F2N9O
Molecular Weight371.31 g/mol
Exact Mass371.11
IUPAC Name5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cn1
InChIInChI=1S/C15H11F2N9O/c16-11(17)14-23-22-13(27-14)9-3-1-8(2-4-9)7-26-24-12(21-25-26)10-5-19-15(18)20-6-10/h1-6,11H,7H2,(H2,18,19,20)
InChIKeyNFURFSIFZOMOEC-UHFFFAOYSA-N
XLogP1.75
TPSA134.32 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine (CID 162722655) is 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine is Nc1ncc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cn1.
What is the InChIKey of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine?
The InChIKey is NFURFSIFZOMOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N9O/c16-11(17)14-23-22-13(27-14)9-3-1-8(2-4-9)7-26-24-12(21-25-26)10-5-19-15(18)20-6-10/h1-6,11H,7H2,(H2,18,19,20).
What are the key properties of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine?
5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine has a molecular weight of 371.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 162722655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).