N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine

C16H10ClF4N5O — CID 129032783

IUPACN-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESFc1ccc(C2(Nc3ncc(-c4nnc(C(F)(F)F)o4)cn3)CC2)cc1Cl
InChIInChI=1S/C16H10ClF4N5O/c17-10-5-9(1-2-11(10)18)15(3-4-15)24-14-22-6-8(7-23-14)12-25-26-13(27-12)16(19,20)21/h1-2,5-7H,3-4H2,(H,22,23,24)
InChIKeyTXFJULKRGRKKBX-UHFFFAOYSA-N
MW399.74 g/mol
LogP4.44
Rot. Bonds4

About N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine

N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (PubChem CID 129032783) has the molecular formula C16H10ClF4N5O and a molecular weight of 399.74 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
PubChem CID129032783
Molecular FormulaC16H10ClF4N5O
Molecular Weight399.74 g/mol
Exact Mass399.05
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESFc1ccc(C2(Nc3ncc(-c4nnc(C(F)(F)F)o4)cn3)CC2)cc1Cl
InChIInChI=1S/C16H10ClF4N5O/c17-10-5-9(1-2-11(10)18)15(3-4-15)24-14-22-6-8(7-23-14)12-25-26-13(27-12)16(19,20)21/h1-2,5-7H,3-4H2,(H,22,23,24)
InChIKeyTXFJULKRGRKKBX-UHFFFAOYSA-N
XLogP4.44
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.74
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane
CID 145295558
N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032936
N-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032918
N-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129033052
N-[1-(2-methylphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032760
2-[[1-(3-chloro-4-fluorophenyl)cyclopropyl]amino]-N'-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide
CID 129032907
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine
CID 129032895
N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 155412835
N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine
CID 163813487
2-[2-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 147772733
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-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]pyrimidin-2-amine
CID 135321055

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (CID 129032783) is N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is Fc1ccc(C2(Nc3ncc(-c4nnc(C(F)(F)F)o4)cn3)CC2)cc1Cl.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The InChIKey is TXFJULKRGRKKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4N5O/c17-10-5-9(1-2-11(10)18)15(3-4-15)24-14-22-6-8(7-23-14)12-25-26-13(27-12)16(19,20)21/h1-2,5-7H,3-4H2,(H,22,23,24).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine has a molecular weight of 399.74 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 129032783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).