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

C19H16Cl2N6OS — CID 46899753

IUPAC6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1csc(NC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)n1
InChIInChI=1S/C19H16Cl2N6OS/c1-9-8-29-19(23-9)26-17(28)15-7-27-16(12-4-3-11(20)5-14(12)21)13(6-22)10(2)24-18(27)25-15/h3-5,7-8H,6,22H2,1-2H3,(H,23,26,28)
InChIKeyOWMXEZHWICQIBU-UHFFFAOYSA-N
MW447.35 g/mol
LogP4.49
Rot. Bonds4

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

6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 46899753) has the molecular formula C19H16Cl2N6OS and a molecular weight of 447.35 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID46899753
Molecular FormulaC19H16Cl2N6OS
Molecular Weight447.35 g/mol
Exact Mass446.05
IUPAC Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1csc(NC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)n1
InChIInChI=1S/C19H16Cl2N6OS/c1-9-8-29-19(23-9)26-17(28)15-7-27-16(12-4-3-11(20)5-14(12)21)13(6-22)10(2)24-18(27)25-15/h3-5,7-8H,6,22H2,1-2H3,(H,23,26,28)
InChIKeyOWMXEZHWICQIBU-UHFFFAOYSA-N
XLogP4.49
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.35
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 46899753) is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is Cc1csc(NC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)n1.
What is the InChIKey of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is OWMXEZHWICQIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N6OS/c1-9-8-29-19(23-9)26-17(28)15-7-27-16(12-4-3-11(20)5-14(12)21)13(6-22)10(2)24-18(27)25-15/h3-5,7-8H,6,22H2,1-2H3,(H,23,26,28).
What are the key properties of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 447.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46899753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).