6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide

C16H15Cl2N5O — CID 11508829

IUPAC6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCNC(=O)c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1
InChIInChI=1S/C16H15Cl2N5O/c1-8-11(6-19)14(10-4-3-9(17)5-12(10)18)23-7-13(15(24)20-2)22-16(23)21-8/h3-5,7H,6,19H2,1-2H3,(H,20,24)
InChIKeyCCHIWKRSPYHLRX-UHFFFAOYSA-N
MW364.24 g/mol
LogP2.83
Rot. Bonds3

About 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide

6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 11508829) has the molecular formula C16H15Cl2N5O and a molecular weight of 364.24 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID11508829
Molecular FormulaC16H15Cl2N5O
Molecular Weight364.24 g/mol
Exact Mass363.07
IUPAC Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCNC(=O)c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1
InChIInChI=1S/C16H15Cl2N5O/c1-8-11(6-19)14(10-4-3-9(17)5-12(10)18)23-7-13(15(24)20-2)22-16(23)21-8/h3-5,7H,6,19H2,1-2H3,(H,20,24)
InChIKeyCCHIWKRSPYHLRX-UHFFFAOYSA-N
XLogP2.83
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 52.83
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)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide (CID 11508829) is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide is CNC(=O)c1cn2c(-c3ccc(Cl)cc3Cl)c(CN)c(C)nc2n1.
What is the InChIKey of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is CCHIWKRSPYHLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O/c1-8-11(6-19)14(10-4-3-9(17)5-12(10)18)23-7-13(15(24)20-2)22-16(23)21-8/h3-5,7H,6,19H2,1-2H3,(H,20,24).
What are the key properties of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide?
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 2.83, 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)-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 11508829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).