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

C22H20Cl2N6O — CID 46900108

IUPAC6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)NCCc3cccnc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C22H20Cl2N6O/c1-13-17(10-25)20(16-5-4-15(23)9-18(16)24)30-12-19(29-22(30)28-13)21(31)27-8-6-14-3-2-7-26-11-14/h2-5,7,9,11-12H,6,8,10,25H2,1H3,(H,27,31)
InChIKeyLODNLIGCRDVPHF-UHFFFAOYSA-N
MW455.35 g/mol
LogP3.84
Rot. Bonds6

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

6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 46900108) has the molecular formula C22H20Cl2N6O and a molecular weight of 455.35 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID46900108
Molecular FormulaC22H20Cl2N6O
Molecular Weight455.35 g/mol
Exact Mass454.11
IUPAC Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)NCCc3cccnc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C22H20Cl2N6O/c1-13-17(10-25)20(16-5-4-15(23)9-18(16)24)30-12-19(29-22(30)28-13)21(31)27-8-6-14-3-2-7-26-11-14/h2-5,7,9,11-12H,6,8,10,25H2,1H3,(H,27,31)
InChIKeyLODNLIGCRDVPHF-UHFFFAOYSA-N
XLogP3.84
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 46900108) is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide is Cc1nc2nc(C(=O)NCCc3cccnc3)cn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is LODNLIGCRDVPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N6O/c1-13-17(10-25)20(16-5-4-15(23)9-18(16)24)30-12-19(29-22(30)28-13)21(31)27-8-6-14-3-2-7-26-11-14/h2-5,7,9,11-12H,6,8,10,25H2,1H3,(H,27,31).
What are the key properties of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide?
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 455.35 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-pyridin-3-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46900108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).