6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine

C15H8ClF6N5 — CID 11774169

IUPAC6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
SMILESFc1cc(F)c(-c2c(Cl)nc(-n3ccnc3)nc2NCC(F)(F)F)c(F)c1
InChIInChI=1S/C15H8ClF6N5/c16-12-11(10-8(18)3-7(17)4-9(10)19)13(24-5-15(20,21)22)26-14(25-12)27-2-1-23-6-27/h1-4,6H,5H2,(H,24,25,26)
InChIKeyLILWNAIAPCBLHU-UHFFFAOYSA-N
MW407.71 g/mol
LogP4.37
Rot. Bonds4

About 6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine

6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine (PubChem CID 11774169) has the molecular formula C15H8ClF6N5 and a molecular weight of 407.71 g/mol. Its IUPAC name is 6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
PubChem CID11774169
Molecular FormulaC15H8ClF6N5
Molecular Weight407.71 g/mol
Exact Mass407.04
IUPAC Name6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
SMILESFc1cc(F)c(-c2c(Cl)nc(-n3ccnc3)nc2NCC(F)(F)F)c(F)c1
InChIInChI=1S/C15H8ClF6N5/c16-12-11(10-8(18)3-7(17)4-9(10)19)13(24-5-15(20,21)22)26-14(25-12)27-2-1-23-6-27/h1-4,6H,5H2,(H,24,25,26)
InChIKeyLILWNAIAPCBLHU-UHFFFAOYSA-N
XLogP4.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.71
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-isoquinolin-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
CID 11374792
4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943000
2-N-(3-chloro-5-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 107371050
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 62870806
6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine
CID 19392203
2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62866681
4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62870705
1-[4-(chloromethyl)-2,6-difluorophenyl]imidazole
CID 63077070
4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine
CID 106768557
5-chloro-6-(2,4,6-trifluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 15483676
4-chloro-N-(2,6-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868980

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine (CID 11774169) is 6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine is Fc1cc(F)c(-c2c(Cl)nc(-n3ccnc3)nc2NCC(F)(F)F)c(F)c1.
What is the InChIKey of 6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is LILWNAIAPCBLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF6N5/c16-12-11(10-8(18)3-7(17)4-9(10)19)13(24-5-15(20,21)22)26-14(25-12)27-2-1-23-6-27/h1-4,6H,5H2,(H,24,25,26).
What are the key properties of 6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 407.71 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 11774169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).