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

C21H18Cl2N4O — CID 11611325

IUPAC[5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
SMILESCOc1ccccc1-c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1
InChIInChI=1S/C21H18Cl2N4O/c1-12-16(10-24)20(14-8-7-13(22)9-17(14)23)27-11-18(26-21(27)25-12)15-5-3-4-6-19(15)28-2/h3-9,11H,10,24H2,1-2H3
InChIKeyAXPSSBPJXIUGGG-UHFFFAOYSA-N
MW413.31 g/mol
LogP5.15
Rot. Bonds4

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

[5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine (PubChem CID 11611325) has the molecular formula C21H18Cl2N4O and a molecular weight of 413.31 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
PubChem CID11611325
Molecular FormulaC21H18Cl2N4O
Molecular Weight413.31 g/mol
Exact Mass412.09
IUPAC Name[5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
SMILESCOc1ccccc1-c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1
InChIInChI=1S/C21H18Cl2N4O/c1-12-16(10-24)20(14-8-7-13(22)9-17(14)23)27-11-18(26-21(27)25-12)15-5-3-4-6-19(15)28-2/h3-9,11H,10,24H2,1-2H3
InChIKeyAXPSSBPJXIUGGG-UHFFFAOYSA-N
XLogP5.15
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.31
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine (CID 11611325) is [5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine is COc1ccccc1-c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1.
What is the InChIKey of [5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The InChIKey is AXPSSBPJXIUGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O/c1-12-16(10-24)20(14-8-7-13(22)9-17(14)23)27-11-18(26-21(27)25-12)15-5-3-4-6-19(15)28-2/h3-9,11H,10,24H2,1-2H3.
What are the key properties of [5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
[5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine has a molecular weight of 413.31 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 11611325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).