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

C17H15F2N5O2 — CID 129032852

IUPAC5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methoxyphenyl)cyclopropyl]pyrimidin-2-amine
SMILESCOc1cccc(C2(Nc3ncc(-c4nnc(C(F)F)o4)cn3)CC2)c1
InChIInChI=1S/C17H15F2N5O2/c1-25-12-4-2-3-11(7-12)17(5-6-17)22-16-20-8-10(9-21-16)14-23-24-15(26-14)13(18)19/h2-4,7-9,13H,5-6H2,1H3,(H,20,21,22)
InChIKeyLTPUXKCCKVVLJB-UHFFFAOYSA-N
MW359.34 g/mol
LogP3.57
Rot. Bonds6

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

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methoxyphenyl)cyclopropyl]pyrimidin-2-amine (PubChem CID 129032852) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methoxyphenyl)cyclopropyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methoxyphenyl)cyclopropyl]pyrimidin-2-amine
PubChem CID129032852
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methoxyphenyl)cyclopropyl]pyrimidin-2-amine
SMILESCOc1cccc(C2(Nc3ncc(-c4nnc(C(F)F)o4)cn3)CC2)c1
InChIInChI=1S/C17H15F2N5O2/c1-25-12-4-2-3-11(7-12)17(5-6-17)22-16-20-8-10(9-21-16)14-23-24-15(26-14)13(18)19/h2-4,7-9,13H,5-6H2,1H3,(H,20,21,22)
InChIKeyLTPUXKCCKVVLJB-UHFFFAOYSA-N
XLogP3.57
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methoxyphenyl)cyclopropyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methoxyphenyl)cyclopropyl]pyrimidin-2-amine (CID 129032852) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methoxyphenyl)cyclopropyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methoxyphenyl)cyclopropyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methoxyphenyl)cyclopropyl]pyrimidin-2-amine is COc1cccc(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-methoxyphenyl)cyclopropyl]pyrimidin-2-amine?
The InChIKey is LTPUXKCCKVVLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c1-25-12-4-2-3-11(7-12)17(5-6-17)22-16-20-8-10(9-21-16)14-23-24-15(26-14)13(18)19/h2-4,7-9,13H,5-6H2,1H3,(H,20,21,22).
What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methoxyphenyl)cyclopropyl]pyrimidin-2-amine?
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methoxyphenyl)cyclopropyl]pyrimidin-2-amine has a molecular weight of 359.34 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methoxyphenyl)cyclopropyl]pyrimidin-2-amine is sourced from PubChem (CID 129032852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).