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

C18H16F3N5O2 — CID 129033052

IUPACN-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESCOc1ccc(C2(Nc3ncc(-c4nnc(C(F)(F)F)o4)cn3)CCC2)cc1
InChIInChI=1S/C18H16F3N5O2/c1-27-13-5-3-12(4-6-13)17(7-2-8-17)24-16-22-9-11(10-23-16)14-25-26-15(28-14)18(19,20)21/h3-6,9-10H,2,7-8H2,1H3,(H,22,23,24)
InChIKeyFUVHFPCZSNPAMU-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.05
Rot. Bonds5

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

N-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (PubChem CID 129033052) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
PubChem CID129033052
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC NameN-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESCOc1ccc(C2(Nc3ncc(-c4nnc(C(F)(F)F)o4)cn3)CCC2)cc1
InChIInChI=1S/C18H16F3N5O2/c1-27-13-5-3-12(4-6-13)17(7-2-8-17)24-16-22-9-11(10-23-16)14-25-26-15(28-14)18(19,20)21/h3-6,9-10H,2,7-8H2,1H3,(H,22,23,24)
InChIKeyFUVHFPCZSNPAMU-UHFFFAOYSA-N
XLogP4.05
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (CID 129033052) is N-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is COc1ccc(C2(Nc3ncc(-c4nnc(C(F)(F)F)o4)cn3)CCC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The InChIKey is FUVHFPCZSNPAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-27-13-5-3-12(4-6-13)17(7-2-8-17)24-16-22-9-11(10-23-16)14-25-26-15(28-14)18(19,20)21/h3-6,9-10H,2,7-8H2,1H3,(H,22,23,24).
What are the key properties of N-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
N-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine has a molecular weight of 391.35 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 129033052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).