2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine

C18H28N6O2 — CID 72874813

IUPAC2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1cc(OC)nc(N2CCCC(c3nccn3CCN(C)C)C2)n1
InChIInChI=1S/C18H28N6O2/c1-22(2)10-11-23-9-7-19-17(23)14-6-5-8-24(13-14)18-20-15(25-3)12-16(21-18)26-4/h7,9,12,14H,5-6,8,10-11,13H2,1-4H3
InChIKeyHNGQBMYEFHKUAC-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.64
Rot. Bonds7

About 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine

2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 72874813) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
PubChem CID72874813
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1cc(OC)nc(N2CCCC(c3nccn3CCN(C)C)C2)n1
InChIInChI=1S/C18H28N6O2/c1-22(2)10-11-23-9-7-19-17(23)14-6-5-8-24(13-14)18-20-15(25-3)12-16(21-18)26-4/h7,9,12,14H,5-6,8,10-11,13H2,1-4H3
InChIKeyHNGQBMYEFHKUAC-UHFFFAOYSA-N
XLogP1.64
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine (CID 72874813) is 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine is COc1cc(OC)nc(N2CCCC(c3nccn3CCN(C)C)C2)n1.
What is the InChIKey of 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is HNGQBMYEFHKUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-22(2)10-11-23-9-7-19-17(23)14-6-5-8-24(13-14)18-20-15(25-3)12-16(21-18)26-4/h7,9,12,14H,5-6,8,10-11,13H2,1-4H3.
What are the key properties of 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine?
2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 360.46 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 72874813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).