N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide

C20H25N7O — CID 121416898

IUPACN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C20H25N7O/c1-5-26(13-12-25(4)20-23-15(2)14-16(3)24-20)19(28)17-8-6-7-9-18(17)27-21-10-11-22-27/h6-11,14H,5,12-13H2,1-4H3
InChIKeyYAXCPEJSTUTBSV-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.27
Rot. Bonds7

About N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide

N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide (PubChem CID 121416898) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
PubChem CID121416898
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C20H25N7O/c1-5-26(13-12-25(4)20-23-15(2)14-16(3)24-20)19(28)17-8-6-7-9-18(17)27-21-10-11-22-27/h6-11,14H,5,12-13H2,1-4H3
InChIKeyYAXCPEJSTUTBSV-UHFFFAOYSA-N
XLogP2.27
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide (CID 121416898) is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide is CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide?
The InChIKey is YAXCPEJSTUTBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-5-26(13-12-25(4)20-23-15(2)14-16(3)24-20)19(28)17-8-6-7-9-18(17)27-21-10-11-22-27/h6-11,14H,5,12-13H2,1-4H3.
What are the key properties of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide?
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide has a molecular weight of 379.47 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 121416898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).