5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine

C19H13F6N7O — CID 146676763

IUPAC5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine
SMILESFc1ccc([C@H](Cn2cnc(C(F)(F)F)c2)Nc2ncc(-c3nnc(C(F)F)o3)cn2)cc1
InChIInChI=1S/C19H13F6N7O/c20-12-3-1-10(2-4-12)13(7-32-8-14(28-9-32)19(23,24)25)29-18-26-5-11(6-27-18)16-30-31-17(33-16)15(21)22/h1-6,8-9,13,15H,7H2,(H,26,27,29)/t13-/m0/s1
InChIKeyMMGMBALHLQARAH-ZDUSSCGKSA-N
MW469.35 g/mol
LogP4.67
Rot. Bonds7

About 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine (PubChem CID 146676763) has the molecular formula C19H13F6N7O and a molecular weight of 469.35 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine
PubChem CID146676763
Molecular FormulaC19H13F6N7O
Molecular Weight469.35 g/mol
Exact Mass469.11
IUPAC Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine
SMILESFc1ccc([C@H](Cn2cnc(C(F)(F)F)c2)Nc2ncc(-c3nnc(C(F)F)o3)cn2)cc1
InChIInChI=1S/C19H13F6N7O/c20-12-3-1-10(2-4-12)13(7-32-8-14(28-9-32)19(23,24)25)29-18-26-5-11(6-27-18)16-30-31-17(33-16)15(21)22/h1-6,8-9,13,15H,7H2,(H,26,27,29)/t13-/m0/s1
InChIKeyMMGMBALHLQARAH-ZDUSSCGKSA-N
XLogP4.67
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine with MolForge

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Related Compounds

5-(1-methyl-4-(pyridin-4-ylmethylamino)-1H-imidazol-5-yl)-N-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-amine
CID 11611374
US10357493, Example 88
CID 129032682
US10357493, Example 72
CID 129032697
US10357493, Example 1
CID 129032758
US10357493, Example 45
CID 129032790
US10357493, Example 4
CID 129032809
US10357493, Example 56
CID 129032855
US10357493, Example 57
CID 129032895
US10357493, Example 5
CID 129032898
US10357493, Example 59
CID 129032976
US10357493, Example 49
CID 129033053
US10357493, Example 10
CID 129033069

Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine (CID 146676763) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine is Fc1ccc([C@H](Cn2cnc(C(F)(F)F)c2)Nc2ncc(-c3nnc(C(F)F)o3)cn2)cc1.
What is the InChIKey of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine?
The InChIKey is MMGMBALHLQARAH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H13F6N7O/c20-12-3-1-10(2-4-12)13(7-32-8-14(28-9-32)19(23,24)25)29-18-26-5-11(6-27-18)16-30-31-17(33-16)15(21)22/h1-6,8-9,13,15H,7H2,(H,26,27,29)/t13-/m0/s1.
What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine?
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine has a molecular weight of 469.35 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 146676763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).