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

C20H24FN7O — CID 121427019

IUPACN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1
InChIInChI=1S/C20H24FN7O/c1-5-27(11-10-26(4)20-24-14(2)12-15(3)25-20)19(29)17-7-6-16(21)13-18(17)28-22-8-9-23-28/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyJVEQWXPKUYMQAY-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.41
Rot. Bonds7

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

N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide (PubChem CID 121427019) has the molecular formula C20H24FN7O and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide
PubChem CID121427019
Molecular FormulaC20H24FN7O
Molecular Weight397.46 g/mol
Exact Mass397.20
IUPAC NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1
InChIInChI=1S/C20H24FN7O/c1-5-27(11-10-26(4)20-24-14(2)12-15(3)25-20)19(29)17-7-6-16(21)13-18(17)28-22-8-9-23-28/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyJVEQWXPKUYMQAY-UHFFFAOYSA-N
XLogP2.41
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.41
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-4-fluoro-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide (CID 121427019) is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide is CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1.
What is the InChIKey of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide?
The InChIKey is JVEQWXPKUYMQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O/c1-5-27(11-10-26(4)20-24-14(2)12-15(3)25-20)19(29)17-7-6-16(21)13-18(17)28-22-8-9-23-28/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-4-fluoro-2-(triazol-2-yl)benzamide?
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide has a molecular weight of 397.46 g/mol, XLogP of 2.41, 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-4-fluoro-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 121427019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).