4-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine

C17H27N7O — CID 72844355

IUPAC4-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CCCC(c3nccn3CCN(C)C)C2)nc(N)n1
InChIInChI=1S/C17H27N7O/c1-22(2)9-10-23-8-6-19-16(23)13-5-4-7-24(12-13)14-11-15(25-3)21-17(18)20-14/h6,8,11,13H,4-5,7,9-10,12H2,1-3H3,(H2,18,20,21)
InChIKeyRVRHQVSAEFDALU-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.21
Rot. Bonds6

About 4-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine

4-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine (PubChem CID 72844355) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine
PubChem CID72844355
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC Name4-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CCCC(c3nccn3CCN(C)C)C2)nc(N)n1
InChIInChI=1S/C17H27N7O/c1-22(2)9-10-23-8-6-19-16(23)13-5-4-7-24(12-13)14-11-15(25-3)21-17(18)20-14/h6,8,11,13H,4-5,7,9-10,12H2,1-3H3,(H2,18,20,21)
InChIKeyRVRHQVSAEFDALU-UHFFFAOYSA-N
XLogP1.21
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine (CID 72844355) is 4-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine is COc1cc(N2CCCC(c3nccn3CCN(C)C)C2)nc(N)n1.
What is the InChIKey of 4-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The InChIKey is RVRHQVSAEFDALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-22(2)9-10-23-8-6-19-16(23)13-5-4-7-24(12-13)14-11-15(25-3)21-17(18)20-14/h6,8,11,13H,4-5,7,9-10,12H2,1-3H3,(H2,18,20,21).
What are the key properties of 4-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine?
4-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine has a molecular weight of 345.45 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 72844355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).