6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide

C22H20Cl2N6O — CID 46899937

IUPAC6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)N(C)Cc3cccnc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C22H20Cl2N6O/c1-13-17(9-25)20(16-6-5-15(23)8-18(16)24)30-12-19(28-22(30)27-13)21(31)29(2)11-14-4-3-7-26-10-14/h3-8,10,12H,9,11,25H2,1-2H3
InChIKeyVTXMFBVROQUZNI-UHFFFAOYSA-N
MW455.35 g/mol
LogP4.14
Rot. Bonds5

About 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide

6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 46899937) has the molecular formula C22H20Cl2N6O and a molecular weight of 455.35 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID46899937
Molecular FormulaC22H20Cl2N6O
Molecular Weight455.35 g/mol
Exact Mass454.11
IUPAC Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)N(C)Cc3cccnc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C22H20Cl2N6O/c1-13-17(9-25)20(16-6-5-15(23)8-18(16)24)30-12-19(28-22(30)27-13)21(31)29(2)11-14-4-3-7-26-10-14/h3-8,10,12H,9,11,25H2,1-2H3
InChIKeyVTXMFBVROQUZNI-UHFFFAOYSA-N
XLogP4.14
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 54.14
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-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 46899937) is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide is Cc1nc2nc(C(=O)N(C)Cc3cccnc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is VTXMFBVROQUZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N6O/c1-13-17(9-25)20(16-6-5-15(23)8-18(16)24)30-12-19(28-22(30)27-13)21(31)29(2)11-14-4-3-7-26-10-14/h3-8,10,12H,9,11,25H2,1-2H3.
What are the key properties of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 455.35 g/mol, XLogP of 4.14, 5 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-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46899937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).