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

C16H13F2N5O — CID 129032809

IUPAC5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine
SMILESFC(F)c1nnc(-c2cnc(NC3(c4ccccc4)CC3)nc2)o1
InChIInChI=1S/C16H13F2N5O/c17-12(18)14-23-22-13(24-14)10-8-19-15(20-9-10)21-16(6-7-16)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7H2,(H,19,20,21)
InChIKeyIRFXHUXQYBARTM-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.57
Rot. Bonds5

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

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine (PubChem CID 129032809) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine
PubChem CID129032809
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine
SMILESFC(F)c1nnc(-c2cnc(NC3(c4ccccc4)CC3)nc2)o1
InChIInChI=1S/C16H13F2N5O/c17-12(18)14-23-22-13(24-14)10-8-19-15(20-9-10)21-16(6-7-16)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7H2,(H,19,20,21)
InChIKeyIRFXHUXQYBARTM-UHFFFAOYSA-N
XLogP3.57
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.57
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-phenylcyclopropyl)pyrimidin-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine (CID 129032809) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine is FC(F)c1nnc(-c2cnc(NC3(c4ccccc4)CC3)nc2)o1.
What is the InChIKey of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine?
The InChIKey is IRFXHUXQYBARTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c17-12(18)14-23-22-13(24-14)10-8-19-15(20-9-10)21-16(6-7-16)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7H2,(H,19,20,21).
What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine?
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine has a molecular weight of 329.31 g/mol, XLogP of 3.57, 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-phenylcyclopropyl)pyrimidin-2-amine is sourced from PubChem (CID 129032809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).