6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine

C24H31F3N8 — CID 118300551

IUPAC6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(F)(F)F)c3)cn2CCN(C)C)CC1
InChIInChI=1S/C24H31F3N8/c1-4-18-21(28)30-15-31-23(18)34-9-6-16(7-10-34)22-32-19(14-35(22)12-11-33(2)3)17-5-8-29-20(13-17)24(25,26)27/h5,8,13-16H,4,6-7,9-12H2,1-3H3,(H2,28,30,31)
InChIKeyPSSFVYIJRZNJHR-UHFFFAOYSA-N
MW488.56 g/mol
LogP3.84
Rot. Bonds7

About 6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine

6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine (PubChem CID 118300551) has the molecular formula C24H31F3N8 and a molecular weight of 488.56 g/mol. Its IUPAC name is 6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine
PubChem CID118300551
Molecular FormulaC24H31F3N8
Molecular Weight488.56 g/mol
Exact Mass488.26
IUPAC Name6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(F)(F)F)c3)cn2CCN(C)C)CC1
InChIInChI=1S/C24H31F3N8/c1-4-18-21(28)30-15-31-23(18)34-9-6-16(7-10-34)22-32-19(14-35(22)12-11-33(2)3)17-5-8-29-20(13-17)24(25,26)27/h5,8,13-16H,4,6-7,9-12H2,1-3H3,(H2,28,30,31)
InChIKeyPSSFVYIJRZNJHR-UHFFFAOYSA-N
XLogP3.84
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine (CID 118300551) is 6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine is CCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(F)(F)F)c3)cn2CCN(C)C)CC1.
What is the InChIKey of 6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine?
The InChIKey is PSSFVYIJRZNJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N8/c1-4-18-21(28)30-15-31-23(18)34-9-6-16(7-10-34)22-32-19(14-35(22)12-11-33(2)3)17-5-8-29-20(13-17)24(25,26)27/h5,8,13-16H,4,6-7,9-12H2,1-3H3,(H2,28,30,31).
What are the key properties of 6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine?
6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine has a molecular weight of 488.56 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 118300551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).