6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C17H20Cl2N6O — CID 11654093

IUPAC6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOCCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1
InChIInChI=1S/C17H20Cl2N6O/c1-10-13(9-20)15(12-5-4-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24(2)6-7-26-3/h4-5,8H,6-7,9,20H2,1-3H3
InChIKeyKRWYTIWWBMYZRH-UHFFFAOYSA-N
MW395.29 g/mol
LogP2.95
Rot. Bonds6

About 6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 11654093) has the molecular formula C17H20Cl2N6O and a molecular weight of 395.29 g/mol. Its IUPAC name is 6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID11654093
Molecular FormulaC17H20Cl2N6O
Molecular Weight395.29 g/mol
Exact Mass394.11
IUPAC Name6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOCCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1
InChIInChI=1S/C17H20Cl2N6O/c1-10-13(9-20)15(12-5-4-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24(2)6-7-26-3/h4-5,8H,6-7,9,20H2,1-3H3
InChIKeyKRWYTIWWBMYZRH-UHFFFAOYSA-N
XLogP2.95
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 11654093) is 6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COCCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1.
What is the InChIKey of 6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is KRWYTIWWBMYZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N6O/c1-10-13(9-20)15(12-5-4-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24(2)6-7-26-3/h4-5,8H,6-7,9,20H2,1-3H3.
What are the key properties of 6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 395.29 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 11654093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).