5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

C20H30N6 — CID 72874223

IUPAC5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCCCN1CCc2[nH]cnc2C12CCN(c1nc(C)cc(C)n1)CC2
InChIInChI=1S/C20H30N6/c1-4-5-9-26-10-6-17-18(22-14-21-17)20(26)7-11-25(12-8-20)19-23-15(2)13-16(3)24-19/h13-14H,4-12H2,1-3H3,(H,21,22)
InChIKeyAMVBZWOJELRBNV-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.97
Rot. Bonds4

About 5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (PubChem CID 72874223) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].

Molecular Properties

Compound Name5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
PubChem CID72874223
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCCCN1CCc2[nH]cnc2C12CCN(c1nc(C)cc(C)n1)CC2
InChIInChI=1S/C20H30N6/c1-4-5-9-26-10-6-17-18(22-14-21-17)20(26)7-11-25(12-8-20)19-23-15(2)13-16(3)24-19/h13-14H,4-12H2,1-3H3,(H,21,22)
InChIKeyAMVBZWOJELRBNV-UHFFFAOYSA-N
XLogP2.97
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The IUPAC name of 5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (CID 72874223) is 5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].
What is the SMILES notation for 5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The canonical SMILES for 5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is CCCCN1CCc2[nH]cnc2C12CCN(c1nc(C)cc(C)n1)CC2.
What is the InChIKey of 5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The InChIKey is AMVBZWOJELRBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-4-5-9-26-10-6-17-18(22-14-21-17)20(26)7-11-25(12-8-20)19-23-15(2)13-16(3)24-19/h13-14H,4-12H2,1-3H3,(H,21,22).
What are the key properties of 5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] has a molecular weight of 354.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is sourced from PubChem (CID 72874223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).