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

C16H10Cl2F3N5O — CID 155412835

IUPACN-[1-(2,4-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESFC(F)(F)c1nc(-c2cnc(NC3(c4ccc(Cl)cc4Cl)CC3)nc2)no1
InChIInChI=1S/C16H10Cl2F3N5O/c17-9-1-2-10(11(18)5-9)15(3-4-15)25-14-22-6-8(7-23-14)12-24-13(27-26-12)16(19,20)21/h1-2,5-7H,3-4H2,(H,22,23,25)
InChIKeyNAUWQKVJEUNAEG-UHFFFAOYSA-N
MW416.19 g/mol
LogP4.95
Rot. Bonds4

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

N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (PubChem CID 155412835) has the molecular formula C16H10Cl2F3N5O and a molecular weight of 416.19 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
PubChem CID155412835
Molecular FormulaC16H10Cl2F3N5O
Molecular Weight416.19 g/mol
Exact Mass415.02
IUPAC NameN-[1-(2,4-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESFC(F)(F)c1nc(-c2cnc(NC3(c4ccc(Cl)cc4Cl)CC3)nc2)no1
InChIInChI=1S/C16H10Cl2F3N5O/c17-9-1-2-10(11(18)5-9)15(3-4-15)25-14-22-6-8(7-23-14)12-24-13(27-26-12)16(19,20)21/h1-2,5-7H,3-4H2,(H,22,23,25)
InChIKeyNAUWQKVJEUNAEG-UHFFFAOYSA-N
XLogP4.95
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.19
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[1-(2-fluorophenyl)-3-methylcyclobutyl]pyrimidin-2-amine
CID 155744156
N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032783
N-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 155744140
N-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine;ethane
CID 145295558
2-[[1-(2,4-dichlorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide
CID 129032983
N-[1-(2,4-difluorophenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032918
3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 71565459
1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine
CID 164529336
3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 50853279
3-(2-methylsulfanylpyrimidin-5-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 142608878
1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride
CID 164529335
3-(3,5-dichloro-2-pyridinyl)-3-methyl-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-2-one
CID 157250111

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (CID 155412835) is N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is FC(F)(F)c1nc(-c2cnc(NC3(c4ccc(Cl)cc4Cl)CC3)nc2)no1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The InChIKey is NAUWQKVJEUNAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F3N5O/c17-9-1-2-10(11(18)5-9)15(3-4-15)25-14-22-6-8(7-23-14)12-24-13(27-26-12)16(19,20)21/h1-2,5-7H,3-4H2,(H,22,23,25).
What are the key properties of N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine has a molecular weight of 416.19 g/mol, XLogP of 4.95, 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-dichlorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 155412835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).