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

C18H17F2N5O — CID 129032671

IUPAC5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine
SMILESCc1cccc(C2(Nc3ncc(-c4nnc(C(F)F)o4)cn3)CCC2)c1
InChIInChI=1S/C18H17F2N5O/c1-11-4-2-5-13(8-11)18(6-3-7-18)23-17-21-9-12(10-22-17)15-24-25-16(26-15)14(19)20/h2,4-5,8-10,14H,3,6-7H2,1H3,(H,21,22,23)
InChIKeyQXCJONADAMMDRA-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.26
Rot. Bonds5

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

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine (PubChem CID 129032671) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine
PubChem CID129032671
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine
SMILESCc1cccc(C2(Nc3ncc(-c4nnc(C(F)F)o4)cn3)CCC2)c1
InChIInChI=1S/C18H17F2N5O/c1-11-4-2-5-13(8-11)18(6-3-7-18)23-17-21-9-12(10-22-17)15-24-25-16(26-15)14(19)20/h2,4-5,8-10,14H,3,6-7H2,1H3,(H,21,22,23)
InChIKeyQXCJONADAMMDRA-UHFFFAOYSA-N
XLogP4.26
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane
CID 145295765
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine
CID 129032895
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine;ethane
CID 145295587
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]pyrimidin-2-amine
CID 135320997
N-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032716
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2,4,5-trifluorophenyl)cyclobutyl]pyrimidin-2-amine
CID 129032722
N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032936
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]cyclobutyl]pyrimidin-2-amine;ethane
CID 145295523
4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]cyclopropyl]benzonitrile
CID 135321026
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(1-ethylpiperidin-4-yl)phenyl]cyclobutyl]pyrimidin-2-amine
CID 129032848
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-ethoxy-2-fluorophenyl)cyclopropyl]pyrimidin-2-amine
CID 147955243
N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 139332365

Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine (CID 129032671) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine is Cc1cccc(C2(Nc3ncc(-c4nnc(C(F)F)o4)cn3)CCC2)c1.
What is the InChIKey of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine?
The InChIKey is QXCJONADAMMDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O/c1-11-4-2-5-13(8-11)18(6-3-7-18)23-17-21-9-12(10-22-17)15-24-25-16(26-15)14(19)20/h2,4-5,8-10,14H,3,6-7H2,1H3,(H,21,22,23).
What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine?
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine has a molecular weight of 357.36 g/mol, XLogP of 4.26, 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-methylphenyl)cyclobutyl]pyrimidin-2-amine is sourced from PubChem (CID 129032671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).