[5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine

C22H20F2N4O — CID 11552953

IUPAC[5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
SMILESCOc1ccccc1-c1cn2c(-c3c(F)cc(C)cc3F)c(CN)c(C)nc2n1
InChIInChI=1S/C22H20F2N4O/c1-12-8-16(23)20(17(24)9-12)21-15(10-25)13(2)26-22-27-18(11-28(21)22)14-6-4-5-7-19(14)29-3/h4-9,11H,10,25H2,1-3H3
InChIKeyYPYPVRFZWSEXSI-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.43
Rot. Bonds4

About [5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine

[5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine (PubChem CID 11552953) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is [5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
PubChem CID11552953
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name[5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
SMILESCOc1ccccc1-c1cn2c(-c3c(F)cc(C)cc3F)c(CN)c(C)nc2n1
InChIInChI=1S/C22H20F2N4O/c1-12-8-16(23)20(17(24)9-12)21-15(10-25)13(2)26-22-27-18(11-28(21)22)14-6-4-5-7-19(14)29-3/h4-9,11H,10,25H2,1-3H3
InChIKeyYPYPVRFZWSEXSI-UHFFFAOYSA-N
XLogP4.43
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Astemizole
CID 2247
2-[4-(4-Fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol
CID 9931156
Rinzimetostat
CID 155788096
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 3697969
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2g
CID 5329420
4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]-2-(2-Methoxyphenoxy)pyrimidine
CID 15872406
2-(2,3-Dimethylphenoxy)-4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]pyrimidine
CID 18536630
N-(2-methoxybenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 662454
1-(4-methoxyphenyl)-N-(4-methylbenzyl)-1H-benzimidazol-5-amine
CID 4341432

Frequently Asked Questions

What is the IUPAC name of [5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine (CID 11552953) is [5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine is COc1ccccc1-c1cn2c(-c3c(F)cc(C)cc3F)c(CN)c(C)nc2n1.
What is the InChIKey of [5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The InChIKey is YPYPVRFZWSEXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c1-12-8-16(23)20(17(24)9-12)21-15(10-25)13(2)26-22-27-18(11-28(21)22)14-6-4-5-7-19(14)29-3/h4-9,11H,10,25H2,1-3H3.
What are the key properties of [5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
[5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine has a molecular weight of 394.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-difluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 11552953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).