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

C17H15F2N5O2 — CID 129032878

IUPAC5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-methoxyphenyl)cyclopropyl]pyrimidin-2-amine
SMILESCOc1ccccc1C1(Nc2ncc(-c3nnc(C(F)F)o3)cn2)CC1
InChIInChI=1S/C17H15F2N5O2/c1-25-12-5-3-2-4-11(12)17(6-7-17)22-16-20-8-10(9-21-16)14-23-24-15(26-14)13(18)19/h2-5,8-9,13H,6-7H2,1H3,(H,20,21,22)
InChIKeyCVFUNOSWWHZQPL-UHFFFAOYSA-N
MW359.34 g/mol
LogP3.57
Rot. Bonds6

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

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-methoxyphenyl)cyclopropyl]pyrimidin-2-amine (PubChem CID 129032878) 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-(2-methoxyphenyl)cyclopropyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-methoxyphenyl)cyclopropyl]pyrimidin-2-amine
PubChem CID129032878
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-methoxyphenyl)cyclopropyl]pyrimidin-2-amine
SMILESCOc1ccccc1C1(Nc2ncc(-c3nnc(C(F)F)o3)cn2)CC1
InChIInChI=1S/C17H15F2N5O2/c1-25-12-5-3-2-4-11(12)17(6-7-17)22-16-20-8-10(9-21-16)14-23-24-15(26-14)13(18)19/h2-5,8-9,13H,6-7H2,1H3,(H,20,21,22)
InChIKeyCVFUNOSWWHZQPL-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-methoxyphenyl)cyclopropyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-methoxyphenyl)cyclopropyl]pyrimidin-2-amine (CID 129032878) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-methoxyphenyl)cyclopropyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-methoxyphenyl)cyclopropyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-methoxyphenyl)cyclopropyl]pyrimidin-2-amine is COc1ccccc1C1(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-methoxyphenyl)cyclopropyl]pyrimidin-2-amine?
The InChIKey is CVFUNOSWWHZQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c1-25-12-5-3-2-4-11(12)17(6-7-17)22-16-20-8-10(9-21-16)14-23-24-15(26-14)13(18)19/h2-5,8-9,13H,6-7H2,1H3,(H,20,21,22).
What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-methoxyphenyl)cyclopropyl]pyrimidin-2-amine?
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-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-(2-methoxyphenyl)cyclopropyl]pyrimidin-2-amine is sourced from PubChem (CID 129032878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).