6-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C15H24N4O2 — CID 61230896

IUPAC6-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(Cc1cc(=O)n(C)c(=O)n1C)C1CC2CCC(C1)N2
InChIInChI=1S/C15H24N4O2/c1-17(12-6-10-4-5-11(7-12)16-10)9-13-8-14(20)19(3)15(21)18(13)2/h8,10-12,16H,4-7,9H2,1-3H3
InChIKeyXZKAJJVRHYFBFT-UHFFFAOYSA-N
MW292.38 g/mol
LogP-0.20
Rot. Bonds3

About 6-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 61230896) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID61230896
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name6-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(Cc1cc(=O)n(C)c(=O)n1C)C1CC2CCC(C1)N2
InChIInChI=1S/C15H24N4O2/c1-17(12-6-10-4-5-11(7-12)16-10)9-13-8-14(20)19(3)15(21)18(13)2/h8,10-12,16H,4-7,9H2,1-3H3
InChIKeyXZKAJJVRHYFBFT-UHFFFAOYSA-N
XLogP-0.20
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 61230896) is 6-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CN(Cc1cc(=O)n(C)c(=O)n1C)C1CC2CCC(C1)N2.
What is the InChIKey of 6-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is XZKAJJVRHYFBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-17(12-6-10-4-5-11(7-12)16-10)9-13-8-14(20)19(3)15(21)18(13)2/h8,10-12,16H,4-7,9H2,1-3H3.
What are the key properties of 6-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 292.38 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 61230896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).