8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane

C13H19N3 — CID 163929188

IUPAC8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane
SMILESCc1cc(N2CC3CCC(C2)C3C)ncn1
InChIInChI=1S/C13H19N3/c1-9-5-13(15-8-14-9)16-6-11-3-4-12(7-16)10(11)2/h5,8,10-12H,3-4,6-7H2,1-2H3
InChIKeyRHFLPVDQELUIBD-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.27
Rot. Bonds1

About 8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane

8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane (PubChem CID 163929188) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane
PubChem CID163929188
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane
SMILESCc1cc(N2CC3CCC(C2)C3C)ncn1
InChIInChI=1S/C13H19N3/c1-9-5-13(15-8-14-9)16-6-11-3-4-12(7-16)10(11)2/h5,8,10-12H,3-4,6-7H2,1-2H3
InChIKeyRHFLPVDQELUIBD-UHFFFAOYSA-N
XLogP2.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane (CID 163929188) is 8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane is Cc1cc(N2CC3CCC(C2)C3C)ncn1.
What is the InChIKey of 8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane?
The InChIKey is RHFLPVDQELUIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9-5-13(15-8-14-9)16-6-11-3-4-12(7-16)10(11)2/h5,8,10-12H,3-4,6-7H2,1-2H3.
What are the key properties of 8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane?
8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane has a molecular weight of 217.32 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 163929188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).