2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane

C19H24N4O — CID 126825756

IUPAC2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCOCc1nc(C)cc(N2CC3CC2CN3Cc2ccccc2)n1
InChIInChI=1S/C19H24N4O/c1-14-8-19(21-18(20-14)13-24-2)23-12-16-9-17(23)11-22(16)10-15-6-4-3-5-7-15/h3-8,16-17H,9-13H2,1-2H3
InChIKeyQGOABLAEBBRKKE-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.39
Rot. Bonds5

About 2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane

2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 126825756) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID126825756
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCOCc1nc(C)cc(N2CC3CC2CN3Cc2ccccc2)n1
InChIInChI=1S/C19H24N4O/c1-14-8-19(21-18(20-14)13-24-2)23-12-16-9-17(23)11-22(16)10-15-6-4-3-5-7-15/h3-8,16-17H,9-13H2,1-2H3
InChIKeyQGOABLAEBBRKKE-UHFFFAOYSA-N
XLogP2.39
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane (CID 126825756) is 2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane is COCc1nc(C)cc(N2CC3CC2CN3Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is QGOABLAEBBRKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-8-19(21-18(20-14)13-24-2)23-12-16-9-17(23)11-22(16)10-15-6-4-3-5-7-15/h3-8,16-17H,9-13H2,1-2H3.
What are the key properties of 2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane?
2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 324.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 126825756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).