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

C19H24N8O — CID 121416954

IUPACN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(tetrazol-2-yl)benzamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1ncnn1
InChIInChI=1S/C19H24N8O/c1-5-26(11-10-25(4)19-22-14(2)12-15(3)23-19)18(28)16-8-6-7-9-17(16)27-21-13-20-24-27/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeySSBPIQVLUCHSSH-UHFFFAOYSA-N
MW380.46 g/mol
LogP1.67
Rot. Bonds7

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

N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(tetrazol-2-yl)benzamide (PubChem CID 121416954) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(tetrazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(tetrazol-2-yl)benzamide
PubChem CID121416954
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(tetrazol-2-yl)benzamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1ncnn1
InChIInChI=1S/C19H24N8O/c1-5-26(11-10-25(4)19-22-14(2)12-15(3)23-19)18(28)16-8-6-7-9-17(16)27-21-13-20-24-27/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeySSBPIQVLUCHSSH-UHFFFAOYSA-N
XLogP1.67
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-(tetrazol-2-yl)benzamide?
The IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(tetrazol-2-yl)benzamide (CID 121416954) is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(tetrazol-2-yl)benzamide.
What is the SMILES notation for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(tetrazol-2-yl)benzamide?
The canonical SMILES for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(tetrazol-2-yl)benzamide is CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1ncnn1.
What is the InChIKey of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(tetrazol-2-yl)benzamide?
The InChIKey is SSBPIQVLUCHSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-5-26(11-10-25(4)19-22-14(2)12-15(3)23-19)18(28)16-8-6-7-9-17(16)27-21-13-20-24-27/h6-9,12-13H,5,10-11H2,1-4H3.
What are the key properties of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(tetrazol-2-yl)benzamide?
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(tetrazol-2-yl)benzamide has a molecular weight of 380.46 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(tetrazol-2-yl)benzamide is sourced from PubChem (CID 121416954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).