6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine

C23H24Cl2N6O — CID 143255709

IUPAC6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine
SMILESCNCc1cccc(C)n1.Cc1nc2nc(C=O)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C15H12Cl2N4O.C8H12N2/c1-8-12(5-18)14(11-3-2-9(16)4-13(11)17)21-6-10(7-22)20-15(21)19-8;1-7-4-3-5-8(10-7)6-9-2/h2-4,6-7H,5,18H2,1H3;3-5,9H,6H2,1-2H3
InChIKeyYDPPMHWGMINEHB-UHFFFAOYSA-N
MW471.39 g/mol
LogP4.39
Rot. Bonds5

About 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine

6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine (PubChem CID 143255709) has the molecular formula C23H24Cl2N6O and a molecular weight of 471.39 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine
PubChem CID143255709
Molecular FormulaC23H24Cl2N6O
Molecular Weight471.39 g/mol
Exact Mass470.14
IUPAC Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine
SMILESCNCc1cccc(C)n1.Cc1nc2nc(C=O)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C15H12Cl2N4O.C8H12N2/c1-8-12(5-18)14(11-3-2-9(16)4-13(11)17)21-6-10(7-22)20-15(21)19-8;1-7-4-3-5-8(10-7)6-9-2/h2-4,6-7H,5,18H2,1H3;3-5,9H,6H2,1-2H3
InChIKeyYDPPMHWGMINEHB-UHFFFAOYSA-N
XLogP4.39
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.39
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
CID 143255802
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 11508829
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,N-diethyl-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900261
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899940
6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidin-2-amine
CID 143255766
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[(2R)-2-(methanesulfonamido)propyl]-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 143255780
2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267407
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane
CID 143255719
4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one;2,2,2-trifluoroacetic acid
CID 46900422
6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-N,7-dimethyl-N-propylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 143255753
5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 88961022
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine?
The IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine (CID 143255709) is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine is CNCc1cccc(C)n1.Cc1nc2nc(C=O)cn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine?
The InChIKey is YDPPMHWGMINEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O.C8H12N2/c1-8-12(5-18)14(11-3-2-9(16)4-13(11)17)21-6-10(7-22)20-15(21)19-8;1-7-4-3-5-8(10-7)6-9-2/h2-4,6-7H,5,18H2,1H3;3-5,9H,6H2,1-2H3.
What are the key properties of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine?
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine has a molecular weight of 471.39 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;N-methyl-1-(6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 143255709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).