3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane

C15H23N3O2 — CID 115998463

IUPAC3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCOC(OC)c1ccnc(C2CC3CCC(C2)N3C)n1
InChIInChI=1S/C15H23N3O2/c1-18-11-4-5-12(18)9-10(8-11)14-16-7-6-13(17-14)15(19-2)20-3/h6-7,10-12,15H,4-5,8-9H2,1-3H3
InChIKeyRNRQNDPUJGBKIU-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.11
Rot. Bonds4

About 3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane

3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 115998463) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID115998463
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCOC(OC)c1ccnc(C2CC3CCC(C2)N3C)n1
InChIInChI=1S/C15H23N3O2/c1-18-11-4-5-12(18)9-10(8-11)14-16-7-6-13(17-14)15(19-2)20-3/h6-7,10-12,15H,4-5,8-9H2,1-3H3
InChIKeyRNRQNDPUJGBKIU-UHFFFAOYSA-N
XLogP2.11
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane (CID 115998463) is 3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane is COC(OC)c1ccnc(C2CC3CCC(C2)N3C)n1.
What is the InChIKey of 3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is RNRQNDPUJGBKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18-11-4-5-12(18)9-10(8-11)14-16-7-6-13(17-14)15(19-2)20-3/h6-7,10-12,15H,4-5,8-9H2,1-3H3.
What are the key properties of 3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane?
3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 277.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethoxymethyl)pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 115998463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).