4-N,4-N-dimethyl-6-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine

C15H20F3N7O — CID 126888518

IUPAC4-N,4-N-dimethyl-6-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1
InChIInChI=1S/C15H20F3N7O/c1-24(2)12-7-11(19-9-20-12)21-10-3-5-25(6-4-10)8-13-22-23-14(26-13)15(16,17)18/h7,9-10H,3-6,8H2,1-2H3,(H,19,20,21)
InChIKeySEGUBVJIFXBWKU-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.02
Rot. Bonds5

About 4-N,4-N-dimethyl-6-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine

4-N,4-N-dimethyl-6-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 126888518) has the molecular formula C15H20F3N7O and a molecular weight of 371.37 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID126888518
Molecular FormulaC15H20F3N7O
Molecular Weight371.37 g/mol
Exact Mass371.17
IUPAC Name4-N,4-N-dimethyl-6-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1
InChIInChI=1S/C15H20F3N7O/c1-24(2)12-7-11(19-9-20-12)21-10-3-5-25(6-4-10)8-13-22-23-14(26-13)15(16,17)18/h7,9-10H,3-6,8H2,1-2H3,(H,19,20,21)
InChIKeySEGUBVJIFXBWKU-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-6-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine (CID 126888518) is 4-N,4-N-dimethyl-6-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine is CN(C)c1cc(NC2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is SEGUBVJIFXBWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N7O/c1-24(2)12-7-11(19-9-20-12)21-10-3-5-25(6-4-10)8-13-22-23-14(26-13)15(16,17)18/h7,9-10H,3-6,8H2,1-2H3,(H,19,20,21).
What are the key properties of 4-N,4-N-dimethyl-6-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-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-6-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126888518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).