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

C17H23N5O — CID 131696091

IUPAC5-cyclobutyl-1-methyl-6-[(5-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCc1cnc(OCC2Cc3c(ncn3C)CN2C2CCC2)nc1
InChIInChI=1S/C17H23N5O/c1-12-7-18-17(19-8-12)23-10-14-6-16-15(20-11-21(16)2)9-22(14)13-4-3-5-13/h7-8,11,13-14H,3-6,9-10H2,1-2H3
InChIKeyVGEYORZLXJDOPG-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.88
Rot. Bonds4

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

5-cyclobutyl-1-methyl-6-[(5-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 131696091) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 5-cyclobutyl-1-methyl-6-[(5-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-cyclobutyl-1-methyl-6-[(5-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID131696091
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name5-cyclobutyl-1-methyl-6-[(5-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCc1cnc(OCC2Cc3c(ncn3C)CN2C2CCC2)nc1
InChIInChI=1S/C17H23N5O/c1-12-7-18-17(19-8-12)23-10-14-6-16-15(20-11-21(16)2)9-22(14)13-4-3-5-13/h7-8,11,13-14H,3-6,9-10H2,1-2H3
InChIKeyVGEYORZLXJDOPG-UHFFFAOYSA-N
XLogP1.88
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-1-methyl-6-[(5-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-cyclobutyl-1-methyl-6-[(5-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 131696091) is 5-cyclobutyl-1-methyl-6-[(5-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-cyclobutyl-1-methyl-6-[(5-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-cyclobutyl-1-methyl-6-[(5-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cc1cnc(OCC2Cc3c(ncn3C)CN2C2CCC2)nc1.
What is the InChIKey of 5-cyclobutyl-1-methyl-6-[(5-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is VGEYORZLXJDOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-7-18-17(19-8-12)23-10-14-6-16-15(20-11-21(16)2)9-22(14)13-4-3-5-13/h7-8,11,13-14H,3-6,9-10H2,1-2H3.
What are the key properties of 5-cyclobutyl-1-methyl-6-[(5-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-cyclobutyl-1-methyl-6-[(5-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 313.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-1-methyl-6-[(5-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 131696091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).