N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine

C26H24FN5 — CID 10273984

IUPACN-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine
SMILESCC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc4ccccc4cn23)n1
InChIInChI=1S/C26H24FN5/c1-26(2,3)16-29-25-28-13-12-21(30-25)24-23(17-8-10-20(27)11-9-17)31-22-14-18-6-4-5-7-19(18)15-32(22)24/h4-15H,16H2,1-3H3,(H,28,29,30)
InChIKeyNMZZSVLGKTUJNX-UHFFFAOYSA-N
MW425.51 g/mol
LogP6.21
Rot. Bonds4

About N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine

N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine (PubChem CID 10273984) has the molecular formula C26H24FN5 and a molecular weight of 425.51 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine
PubChem CID10273984
Molecular FormulaC26H24FN5
Molecular Weight425.51 g/mol
Exact Mass425.20
IUPAC NameN-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine
SMILESCC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc4ccccc4cn23)n1
InChIInChI=1S/C26H24FN5/c1-26(2,3)16-29-25-28-13-12-21(30-25)24-23(17-8-10-20(27)11-9-17)31-22-14-18-6-4-5-7-19(18)15-32(22)24/h4-15H,16H2,1-3H3,(H,28,29,30)
InChIKeyNMZZSVLGKTUJNX-UHFFFAOYSA-N
XLogP6.21
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 58824364
[3-[2-(tert-butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824339
[2-(4-fluorophenyl)-3-[2-(3-methoxypropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824528
[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824295
[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824534
4-[7-[[but-3-ynyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;4-[7-(diethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 159428581
N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide
CID 58824430
[3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824541
3-[[4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropanoic acid
CID 57438777
[3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824424
4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine
CID 142199324
4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
CID 58824614

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine (CID 10273984) is N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine is CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc4ccccc4cn23)n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine?
The InChIKey is NMZZSVLGKTUJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5/c1-26(2,3)16-29-25-28-13-12-21(30-25)24-23(17-8-10-20(27)11-9-17)31-22-14-18-6-4-5-7-19(18)15-32(22)24/h4-15H,16H2,1-3H3,(H,28,29,30).
What are the key properties of N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine?
N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine has a molecular weight of 425.51 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)imidazo[1,2-b]isoquinolin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 10273984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).