N,N-dimethyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidin-2-amine

C25H22F3N5O — CID 91758739

IUPACN,N-dimethyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidin-2-amine
SMILESCN(C)c1ncc(-c2ccccc2Cc2cccc(-c3ccc(OCC(F)(F)F)nc3)n2)cn1
InChIInChI=1S/C25H22F3N5O/c1-33(2)24-30-14-19(15-31-24)21-8-4-3-6-17(21)12-20-7-5-9-22(32-20)18-10-11-23(29-13-18)34-16-25(26,27)28/h3-11,13-15H,12,16H2,1-2H3
InChIKeyGCIFHBKDZWBLEM-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.20
Rot. Bonds7

About N,N-dimethyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidin-2-amine

N,N-dimethyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidin-2-amine (PubChem CID 91758739) has the molecular formula C25H22F3N5O and a molecular weight of 465.48 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidin-2-amine
PubChem CID91758739
Molecular FormulaC25H22F3N5O
Molecular Weight465.48 g/mol
Exact Mass465.18
IUPAC NameN,N-dimethyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidin-2-amine
SMILESCN(C)c1ncc(-c2ccccc2Cc2cccc(-c3ccc(OCC(F)(F)F)nc3)n2)cn1
InChIInChI=1S/C25H22F3N5O/c1-33(2)24-30-14-19(15-31-24)21-8-4-3-6-17(21)12-20-7-5-9-22(32-20)18-10-11-23(29-13-18)34-16-25(26,27)28/h3-11,13-15H,12,16H2,1-2H3
InChIKeyGCIFHBKDZWBLEM-UHFFFAOYSA-N
XLogP5.20
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidin-2-amine (CID 91758739) is N,N-dimethyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidin-2-amine is CN(C)c1ncc(-c2ccccc2Cc2cccc(-c3ccc(OCC(F)(F)F)nc3)n2)cn1.
What is the InChIKey of N,N-dimethyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidin-2-amine?
The InChIKey is GCIFHBKDZWBLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O/c1-33(2)24-30-14-19(15-31-24)21-8-4-3-6-17(21)12-20-7-5-9-22(32-20)18-10-11-23(29-13-18)34-16-25(26,27)28/h3-11,13-15H,12,16H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidin-2-amine?
N,N-dimethyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidin-2-amine has a molecular weight of 465.48 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 91758739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).