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

C19H19F3N6 — CID 10620296

IUPAC4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2[nH]c(C3CCNCC3)nc2-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H19F3N6/c20-19(21,22)13-3-1-2-12(10-13)15-16(14-6-9-25-18(23)26-14)28-17(27-15)11-4-7-24-8-5-11/h1-3,6,9-11,24H,4-5,7-8H2,(H,27,28)(H2,23,25,26)
InChIKeyCZEBZOHAXRSHBJ-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.60
Rot. Bonds3

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

4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine (PubChem CID 10620296) has the molecular formula C19H19F3N6 and a molecular weight of 388.40 g/mol. Its IUPAC name is 4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine
PubChem CID10620296
Molecular FormulaC19H19F3N6
Molecular Weight388.40 g/mol
Exact Mass388.16
IUPAC Name4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2[nH]c(C3CCNCC3)nc2-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H19F3N6/c20-19(21,22)13-3-1-2-12(10-13)15-16(14-6-9-25-18(23)26-14)28-17(27-15)11-4-7-24-8-5-11/h1-3,6,9-11,24H,4-5,7-8H2,(H,27,28)(H2,23,25,26)
InChIKeyCZEBZOHAXRSHBJ-UHFFFAOYSA-N
XLogP3.60
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine (CID 10620296) is 4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine is Nc1nccc(-c2[nH]c(C3CCNCC3)nc2-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine?
The InChIKey is CZEBZOHAXRSHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6/c20-19(21,22)13-3-1-2-12(10-13)15-16(14-6-9-25-18(23)26-14)28-17(27-15)11-4-7-24-8-5-11/h1-3,6,9-11,24H,4-5,7-8H2,(H,27,28)(H2,23,25,26).
What are the key properties of 4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine?
4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine has a molecular weight of 388.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 10620296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).