[2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine

C20H15Cl3N4 — CID 11704411

IUPAC[2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
SMILESCc1nc2nc(-c3ccc(Cl)cc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H15Cl3N4/c1-11-16(9-24)19(15-7-6-14(22)8-17(15)23)27-10-18(26-20(27)25-11)12-2-4-13(21)5-3-12/h2-8,10H,9,24H2,1H3
InChIKeyDDEPLNNIMHQSQJ-UHFFFAOYSA-N
MW417.73 g/mol
LogP5.79
Rot. Bonds3

About [2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine

[2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine (PubChem CID 11704411) has the molecular formula C20H15Cl3N4 and a molecular weight of 417.73 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
PubChem CID11704411
Molecular FormulaC20H15Cl3N4
Molecular Weight417.73 g/mol
Exact Mass416.04
IUPAC Name[2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
SMILESCc1nc2nc(-c3ccc(Cl)cc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H15Cl3N4/c1-11-16(9-24)19(15-7-6-14(22)8-17(15)23)27-10-18(26-20(27)25-11)12-2-4-13(21)5-3-12/h2-8,10H,9,24H2,1H3
InChIKeyDDEPLNNIMHQSQJ-UHFFFAOYSA-N
XLogP5.79
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.73
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Laduviglusib
CID 9956119
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
Cyclopropyl-(4-(5-(3,4-Dichlorophenyl)-2-((1-Methyl)-Piperidin)-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447872
9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(piperidin-1-yl)-9H-purine
CID 25190877
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900258
6-N-[2-[[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 53396311
4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 86277841
Cyclohexyl-(4-(5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447873
4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
CID 2766552
N-(2,6-Dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44422489
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44563262
2,4-Disubstituted Pyrimidine 2i
CID 5329422

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine (CID 11704411) is [2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine is Cc1nc2nc(-c3ccc(Cl)cc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of [2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The InChIKey is DDEPLNNIMHQSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N4/c1-11-16(9-24)19(15-7-6-14(22)8-17(15)23)27-10-18(26-20(27)25-11)12-2-4-13(21)5-3-12/h2-8,10H,9,24H2,1H3.
What are the key properties of [2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
[2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine has a molecular weight of 417.73 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 11704411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).