N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine

C21H23F3N6 — CID 15840626

IUPACN,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine
SMILESCN(C)c1nccc(-c2[nH]c(C3CCNCC3)nc2-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C21H23F3N6/c1-30(2)20-26-11-8-16(27-20)18-17(14-4-3-5-15(12-14)21(22,23)24)28-19(29-18)13-6-9-25-10-7-13/h3-5,8,11-13,25H,6-7,9-10H2,1-2H3,(H,28,29)
InChIKeyOUOMGCKNTOQXCS-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.09
Rot. Bonds4

About N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine

N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine (PubChem CID 15840626) has the molecular formula C21H23F3N6 and a molecular weight of 416.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine
PubChem CID15840626
Molecular FormulaC21H23F3N6
Molecular Weight416.45 g/mol
Exact Mass416.19
IUPAC NameN,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine
SMILESCN(C)c1nccc(-c2[nH]c(C3CCNCC3)nc2-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C21H23F3N6/c1-30(2)20-26-11-8-16(27-20)18-17(14-4-3-5-15(12-14)21(22,23)24)28-19(29-18)13-6-9-25-10-7-13/h3-5,8,11-13,25H,6-7,9-10H2,1-2H3,(H,28,29)
InChIKeyOUOMGCKNTOQXCS-UHFFFAOYSA-N
XLogP4.09
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine (CID 15840626) is N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine is CN(C)c1nccc(-c2[nH]c(C3CCNCC3)nc2-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine?
The InChIKey is OUOMGCKNTOQXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6/c1-30(2)20-26-11-8-16(27-20)18-17(14-4-3-5-15(12-14)21(22,23)24)28-19(29-18)13-6-9-25-10-7-13/h3-5,8,11-13,25H,6-7,9-10H2,1-2H3,(H,28,29).
What are the key properties of N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine?
N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine has a molecular weight of 416.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 15840626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).