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

C20H21Cl2N5O2 — CID 46900418

IUPAC6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)NC3CCOCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H21Cl2N5O2/c1-11-15(9-23)18(14-3-2-12(21)8-16(14)22)27-10-17(26-20(27)24-11)19(28)25-13-4-6-29-7-5-13/h2-3,8,10,13H,4-7,9,23H2,1H3,(H,25,28)
InChIKeyMKQAIAUZISXSET-UHFFFAOYSA-N
MW434.33 g/mol
LogP3.38
Rot. Bonds4

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

6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 46900418) has the molecular formula C20H21Cl2N5O2 and a molecular weight of 434.33 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID46900418
Molecular FormulaC20H21Cl2N5O2
Molecular Weight434.33 g/mol
Exact Mass433.11
IUPAC Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)NC3CCOCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H21Cl2N5O2/c1-11-15(9-23)18(14-3-2-12(21)8-16(14)22)27-10-17(26-20(27)24-11)19(28)25-13-4-6-29-7-5-13/h2-3,8,10,13H,4-7,9,23H2,1H3,(H,25,28)
InChIKeyMKQAIAUZISXSET-UHFFFAOYSA-N
XLogP3.38
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 53.38
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-(oxan-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 46900418) is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is Cc1nc2nc(C(=O)NC3CCOCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is MKQAIAUZISXSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O2/c1-11-15(9-23)18(14-3-2-12(21)8-16(14)22)27-10-17(26-20(27)24-11)19(28)25-13-4-6-29-7-5-13/h2-3,8,10,13H,4-7,9,23H2,1H3,(H,25,28).
What are the key properties of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 434.33 g/mol, XLogP of 3.38, 4 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-(oxan-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46900418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).