5-[(4-methylpyrimidin-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]

C16H21N5O — CID 136562980

IUPAC5-[(4-methylpyrimidin-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESCc1ccnc(CN2CCc3[nH]cnc3C23CCOCC3)n1
InChIInChI=1S/C16H21N5O/c1-12-2-6-17-14(20-12)10-21-7-3-13-15(19-11-18-13)16(21)4-8-22-9-5-16/h2,6,11H,3-5,7-10H2,1H3,(H,18,19)
InChIKeyHTESOGFEWHBYGF-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.57
Rot. Bonds2

About 5-[(4-methylpyrimidin-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]

5-[(4-methylpyrimidin-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (PubChem CID 136562980) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-[(4-methylpyrimidin-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane].

Molecular Properties

Compound Name5-[(4-methylpyrimidin-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
PubChem CID136562980
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-[(4-methylpyrimidin-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESCc1ccnc(CN2CCc3[nH]cnc3C23CCOCC3)n1
InChIInChI=1S/C16H21N5O/c1-12-2-6-17-14(20-12)10-21-7-3-13-15(19-11-18-13)16(21)4-8-22-9-5-16/h2,6,11H,3-5,7-10H2,1H3,(H,18,19)
InChIKeyHTESOGFEWHBYGF-UHFFFAOYSA-N
XLogP1.57
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpyrimidin-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The IUPAC name of 5-[(4-methylpyrimidin-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (CID 136562980) is 5-[(4-methylpyrimidin-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane].
What is the SMILES notation for 5-[(4-methylpyrimidin-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The canonical SMILES for 5-[(4-methylpyrimidin-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is Cc1ccnc(CN2CCc3[nH]cnc3C23CCOCC3)n1.
What is the InChIKey of 5-[(4-methylpyrimidin-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The InChIKey is HTESOGFEWHBYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-2-6-17-14(20-12)10-21-7-3-13-15(19-11-18-13)16(21)4-8-22-9-5-16/h2,6,11H,3-5,7-10H2,1H3,(H,18,19).
What are the key properties of 5-[(4-methylpyrimidin-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
5-[(4-methylpyrimidin-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] has a molecular weight of 299.38 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpyrimidin-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is sourced from PubChem (CID 136562980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).