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

C17H12F5N5O — CID 129032918

IUPACN-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESFc1ccc(C2(Nc3ncc(-c4nnc(C(F)(F)F)o4)cn3)CCC2)c(F)c1
InChIInChI=1S/C17H12F5N5O/c18-10-2-3-11(12(19)6-10)16(4-1-5-16)25-15-23-7-9(8-24-15)13-26-27-14(28-13)17(20,21)22/h2-3,6-8H,1,4-5H2,(H,23,24,25)
InChIKeyCJSUJTZKCPPBIK-UHFFFAOYSA-N
MW397.31 g/mol
LogP4.31
Rot. Bonds4

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

N-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (PubChem CID 129032918) has the molecular formula C17H12F5N5O and a molecular weight of 397.31 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
PubChem CID129032918
Molecular FormulaC17H12F5N5O
Molecular Weight397.31 g/mol
Exact Mass397.10
IUPAC NameN-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESFc1ccc(C2(Nc3ncc(-c4nnc(C(F)(F)F)o4)cn3)CCC2)c(F)c1
InChIInChI=1S/C17H12F5N5O/c18-10-2-3-11(12(19)6-10)16(4-1-5-16)25-15-23-7-9(8-24-15)13-26-27-14(28-13)17(20,21)22/h2-3,6-8H,1,4-5H2,(H,23,24,25)
InChIKeyCJSUJTZKCPPBIK-UHFFFAOYSA-N
XLogP4.31
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (CID 129032918) is N-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is Fc1ccc(C2(Nc3ncc(-c4nnc(C(F)(F)F)o4)cn3)CCC2)c(F)c1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The InChIKey is CJSUJTZKCPPBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F5N5O/c18-10-2-3-11(12(19)6-10)16(4-1-5-16)25-15-23-7-9(8-24-15)13-26-27-14(28-13)17(20,21)22/h2-3,6-8H,1,4-5H2,(H,23,24,25).
What are the key properties of N-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
N-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine has a molecular weight of 397.31 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 129032918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).