4-N,4-N-dimethyl-2-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine

C15H20F3N7O — CID 171994614

IUPAC4-N,4-N-dimethyl-2-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(NC2CCCN(Cc3nnc(C(F)(F)F)o3)C2)n1
InChIInChI=1S/C15H20F3N7O/c1-24(2)11-5-6-19-14(21-11)20-10-4-3-7-25(8-10)9-12-22-23-13(26-12)15(16,17)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,19,20,21)
InChIKeyZZKFSQBCHXGSTN-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.02
Rot. Bonds5

About 4-N,4-N-dimethyl-2-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine

4-N,4-N-dimethyl-2-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 171994614) has the molecular formula C15H20F3N7O and a molecular weight of 371.37 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
PubChem CID171994614
Molecular FormulaC15H20F3N7O
Molecular Weight371.37 g/mol
Exact Mass371.17
IUPAC Name4-N,4-N-dimethyl-2-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(NC2CCCN(Cc3nnc(C(F)(F)F)o3)C2)n1
InChIInChI=1S/C15H20F3N7O/c1-24(2)11-5-6-19-14(21-11)20-10-4-3-7-25(8-10)9-12-22-23-13(26-12)15(16,17)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,19,20,21)
InChIKeyZZKFSQBCHXGSTN-UHFFFAOYSA-N
XLogP2.02
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine (CID 171994614) is 4-N,4-N-dimethyl-2-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine is CN(C)c1ccnc(NC2CCCN(Cc3nnc(C(F)(F)F)o3)C2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is ZZKFSQBCHXGSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N7O/c1-24(2)11-5-6-19-14(21-11)20-10-4-3-7-25(8-10)9-12-22-23-13(26-12)15(16,17)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,19,20,21).
What are the key properties of 4-N,4-N-dimethyl-2-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 371.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 171994614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).