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

C21H19ClN4O — CID 52943488

IUPAC[5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
SMILESCOc1ccccc1-c1cn2c(-c3ccccc3Cl)c(CN)c(C)nc2n1
InChIInChI=1S/C21H19ClN4O/c1-13-16(11-23)20(14-7-3-5-9-17(14)22)26-12-18(25-21(26)24-13)15-8-4-6-10-19(15)27-2/h3-10,12H,11,23H2,1-2H3
InChIKeyNKSCHCKPZIJXAA-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.49
Rot. Bonds4

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

[5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine (PubChem CID 52943488) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
PubChem CID52943488
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name[5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
SMILESCOc1ccccc1-c1cn2c(-c3ccccc3Cl)c(CN)c(C)nc2n1
InChIInChI=1S/C21H19ClN4O/c1-13-16(11-23)20(14-7-3-5-9-17(14)22)26-12-18(25-21(26)24-13)15-8-4-6-10-19(15)27-2/h3-10,12H,11,23H2,1-2H3
InChIKeyNKSCHCKPZIJXAA-UHFFFAOYSA-N
XLogP4.49
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloranyl-7-[(4-Methoxy-3,5-Dimethyl-Pyridin-2-Yl)methyl]-5-(Phenylmethyl)pyrrolo[2,3-D]pyrimidin-2-Amine
CID 131704417
N-(2-methoxybenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 662454
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390671
2-(3-Chloro-2-methoxyphenyl)imidazo[1,2-a]pyridine
CID 2725744
5-[(2-Methoxyphenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 10403427
6-chloro-2-(4-chloro-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-amine
CID 137650941
7-benzyl-4-N-(4-methoxyphenyl)-4-N-methyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 137661858
2-(3-Chloro-2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 2725743
6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 3201357
2-[(4-Chloro-2-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 700198
N-(4-chlorobenzyl)-1-(4-methoxyphenyl)-1H-benzimidazol-5-amine
CID 1364864
2-(4-Chlorophenyl)-4-(2-phenoxyphenyl)-5-(4-pyridinyl)-1H-imidazole
CID 10093802

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine (CID 52943488) is [5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine is COc1ccccc1-c1cn2c(-c3ccccc3Cl)c(CN)c(C)nc2n1.
What is the InChIKey of [5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The InChIKey is NKSCHCKPZIJXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-13-16(11-23)20(14-7-3-5-9-17(14)22)26-12-18(25-21(26)24-13)15-8-4-6-10-19(15)27-2/h3-10,12H,11,23H2,1-2H3.
What are the key properties of [5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
[5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine has a molecular weight of 378.86 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 52943488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).