6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide

C23H22Cl2N6O — CID 46899941

IUPAC6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)N(C)CCc3ccccn3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C23H22Cl2N6O/c1-14-18(12-26)21(17-7-6-15(24)11-19(17)25)31-13-20(29-23(31)28-14)22(32)30(2)10-8-16-5-3-4-9-27-16/h3-7,9,11,13H,8,10,12,26H2,1-2H3
InChIKeyIIGXQPFTWGSNDP-UHFFFAOYSA-N
MW469.38 g/mol
LogP4.18
Rot. Bonds6

About 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide

6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 46899941) has the molecular formula C23H22Cl2N6O and a molecular weight of 469.38 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID46899941
Molecular FormulaC23H22Cl2N6O
Molecular Weight469.38 g/mol
Exact Mass468.12
IUPAC Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)N(C)CCc3ccccn3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C23H22Cl2N6O/c1-14-18(12-26)21(17-7-6-15(24)11-19(17)25)31-13-20(29-23(31)28-14)22(32)30(2)10-8-16-5-3-4-9-27-16/h3-7,9,11,13H,8,10,12,26H2,1-2H3
InChIKeyIIGXQPFTWGSNDP-UHFFFAOYSA-N
XLogP4.18
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 46899941) is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide is Cc1nc2nc(C(=O)N(C)CCc3ccccn3)cn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is IIGXQPFTWGSNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N6O/c1-14-18(12-26)21(17-7-6-15(24)11-19(17)25)31-13-20(29-23(31)28-14)22(32)30(2)10-8-16-5-3-4-9-27-16/h3-7,9,11,13H,8,10,12,26H2,1-2H3.
What are the key properties of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 469.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46899941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).