N-(2,2-dimethylpropyl)-2-imidazo[1,2-a]pyridin-3-yl-6-pyridin-3-ylpyrimidin-4-amine

C21H22N6 — CID 53252831

IUPACN-(2,2-dimethylpropyl)-2-imidazo[1,2-a]pyridin-3-yl-6-pyridin-3-ylpyrimidin-4-amine
SMILESCC(C)(C)CNc1cc(-c2cccnc2)nc(-c2cnc3ccccn23)n1
InChIInChI=1S/C21H22N6/c1-21(2,3)14-24-18-11-16(15-7-6-9-22-12-15)25-20(26-18)17-13-23-19-8-4-5-10-27(17)19/h4-13H,14H2,1-3H3,(H,24,25,26)
InChIKeyXBZUZUSLFNFXKP-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.31
Rot. Bonds4

About N-(2,2-dimethylpropyl)-2-imidazo[1,2-a]pyridin-3-yl-6-pyridin-3-ylpyrimidin-4-amine

N-(2,2-dimethylpropyl)-2-imidazo[1,2-a]pyridin-3-yl-6-pyridin-3-ylpyrimidin-4-amine (PubChem CID 53252831) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-imidazo[1,2-a]pyridin-3-yl-6-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-imidazo[1,2-a]pyridin-3-yl-6-pyridin-3-ylpyrimidin-4-amine
PubChem CID53252831
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC NameN-(2,2-dimethylpropyl)-2-imidazo[1,2-a]pyridin-3-yl-6-pyridin-3-ylpyrimidin-4-amine
SMILESCC(C)(C)CNc1cc(-c2cccnc2)nc(-c2cnc3ccccn23)n1
InChIInChI=1S/C21H22N6/c1-21(2,3)14-24-18-11-16(15-7-6-9-22-12-15)25-20(26-18)17-13-23-19-8-4-5-10-27(17)19/h4-13H,14H2,1-3H3,(H,24,25,26)
InChIKeyXBZUZUSLFNFXKP-UHFFFAOYSA-N
XLogP4.31
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-imidazo[1,2-a]pyridin-3-ylethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 50970220
3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine
CID 67241302
3-[4-(2,2-dimethylpropylamino)-5-pyridin-3-ylpyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 53252735
2-pyridin-2-yl-6-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 69182655
3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine
CID 159692385
3-[(2,6-dipyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 3479964
N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine
CID 78990312
3-pyrimidin-4-ylimidazo[1,2-a]pyridine
CID 123574015
3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid
CID 59176893
N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 69184531
N-(2,2-dimethoxyethyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 3282641
1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 141299002

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-imidazo[1,2-a]pyridin-3-yl-6-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-2-imidazo[1,2-a]pyridin-3-yl-6-pyridin-3-ylpyrimidin-4-amine (CID 53252831) is N-(2,2-dimethylpropyl)-2-imidazo[1,2-a]pyridin-3-yl-6-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-imidazo[1,2-a]pyridin-3-yl-6-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-imidazo[1,2-a]pyridin-3-yl-6-pyridin-3-ylpyrimidin-4-amine is CC(C)(C)CNc1cc(-c2cccnc2)nc(-c2cnc3ccccn23)n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-imidazo[1,2-a]pyridin-3-yl-6-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is XBZUZUSLFNFXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-21(2,3)14-24-18-11-16(15-7-6-9-22-12-15)25-20(26-18)17-13-23-19-8-4-5-10-27(17)19/h4-13H,14H2,1-3H3,(H,24,25,26).
What are the key properties of N-(2,2-dimethylpropyl)-2-imidazo[1,2-a]pyridin-3-yl-6-pyridin-3-ylpyrimidin-4-amine?
N-(2,2-dimethylpropyl)-2-imidazo[1,2-a]pyridin-3-yl-6-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 358.45 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-imidazo[1,2-a]pyridin-3-yl-6-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 53252831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).