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6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane

C17H18Cl2N4O2 — CID 143255719

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane
SMILESCC.Cc1nc2ncc(C(=O)O)n2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C15H12Cl2N4O2.C2H6/c1-7-10(5-18)13(9-3-2-8(16)4-11(9)17)21-12(14(22)23)6-19-15(21)20-7;1-2/h2-4,6H,5,18H2,1H3,(H,22,23);1-2H3
InChIKeyDQXSYKXAIQTISS-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.19
Rot. Bonds3

About 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane

6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane (PubChem CID 143255719) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane
PubChem CID143255719
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane
SMILESCC.Cc1nc2ncc(C(=O)O)n2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C15H12Cl2N4O2.C2H6/c1-7-10(5-18)13(9-3-2-8(16)4-11(9)17)21-12(14(22)23)6-19-15(21)20-7;1-2/h2-4,6H,5,18H2,1H3,(H,22,23);1-2H3
InChIKeyDQXSYKXAIQTISS-UHFFFAOYSA-N
XLogP4.19
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane?
The IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane (CID 143255719) is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane.
What is the SMILES notation for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane?
The canonical SMILES for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane is CC.Cc1nc2ncc(C(=O)O)n2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane?
The InChIKey is DQXSYKXAIQTISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2.C2H6/c1-7-10(5-18)13(9-3-2-8(16)4-11(9)17)21-12(14(22)23)6-19-15(21)20-7;1-2/h2-4,6H,5,18H2,1H3,(H,22,23);1-2H3.
What are the key properties of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane?
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane has a molecular weight of 381.26 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;ethane is sourced from PubChem (CID 143255719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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