5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

C20H19BrF4N6 — CID 89445503

IUPAC5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCn1c(-c2ccc(F)c(C(F)(F)F)c2)cnc1C1CCN(c2ncnc(N)c2Br)CC1
InChIInChI=1S/C20H19BrF4N6/c1-30-15(12-2-3-14(22)13(8-12)20(23,24)25)9-27-18(30)11-4-6-31(7-5-11)19-16(21)17(26)28-10-29-19/h2-3,8-11H,4-7H2,1H3,(H2,26,28,29)
InChIKeySAPWDPFUJRBXMB-UHFFFAOYSA-N
MW499.31 g/mol
LogP4.76
Rot. Bonds3

About 5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 89445503) has the molecular formula C20H19BrF4N6 and a molecular weight of 499.31 g/mol. Its IUPAC name is 5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID89445503
Molecular FormulaC20H19BrF4N6
Molecular Weight499.31 g/mol
Exact Mass498.08
IUPAC Name5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCn1c(-c2ccc(F)c(C(F)(F)F)c2)cnc1C1CCN(c2ncnc(N)c2Br)CC1
InChIInChI=1S/C20H19BrF4N6/c1-30-15(12-2-3-14(22)13(8-12)20(23,24)25)9-27-18(30)11-4-6-31(7-5-11)19-16(21)17(26)28-10-29-19/h2-3,8-11H,4-7H2,1H3,(H2,26,28,29)
InChIKeySAPWDPFUJRBXMB-UHFFFAOYSA-N
XLogP4.76
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.31
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

SB-220025
CID 5164
PF-670462
CID 51049607
L-790070
CID 9806182
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
VK-19911
CID 9797240
SB-242235
CID 9863367
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
CID 137701509
N-(3,5-dimethylphenyl)-4-(2-phenyl-1H-imidazol-1-yl)pyrimidin-2-amine
CID 5329417
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 89445503) is 5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is Cn1c(-c2ccc(F)c(C(F)(F)F)c2)cnc1C1CCN(c2ncnc(N)c2Br)CC1.
What is the InChIKey of 5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is SAPWDPFUJRBXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrF4N6/c1-30-15(12-2-3-14(22)13(8-12)20(23,24)25)9-27-18(30)11-4-6-31(7-5-11)19-16(21)17(26)28-10-29-19/h2-3,8-11H,4-7H2,1H3,(H2,26,28,29).
What are the key properties of 5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 499.31 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 89445503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).