4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one

C14H22N4O — CID 136927114

IUPAC4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(C2CC3CCC(C2)N3C)n1
InChIInChI=1S/C14H22N4O/c1-15-8-10-7-13(19)17-14(16-10)9-5-11-3-4-12(6-9)18(11)2/h7,9,11-12,15H,3-6,8H2,1-2H3,(H,16,17,19)
InChIKeyCJJRTAJEACZVCE-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.83
Rot. Bonds3

About 4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one

4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one (PubChem CID 136927114) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
PubChem CID136927114
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(C2CC3CCC(C2)N3C)n1
InChIInChI=1S/C14H22N4O/c1-15-8-10-7-13(19)17-14(16-10)9-5-11-3-4-12(6-9)18(11)2/h7,9,11-12,15H,3-6,8H2,1-2H3,(H,16,17,19)
InChIKeyCJJRTAJEACZVCE-UHFFFAOYSA-N
XLogP0.83
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-fluoro-4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 136923775
3-[2-Cyclohexyl-2-(propylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 104747700
3-[2-Cyclohexyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 104747704
3-(2-Amino-2-cyclohexylethyl)-2,6-dimethylpyrimidin-4-one
CID 104747707
3-[2-Cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 104747708
3-[2-Cyclohexyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 104747710
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 112680552
5-(aminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 113385093
3-[2-Cyclopentyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 113448462
4-hydroxy-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 115997684
4-(ethylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 135978218
4-(methylaminomethyl)-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 135978267

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one (CID 136927114) is 4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one is CNCc1cc(=O)[nH]c(C2CC3CCC(C2)N3C)n1.
What is the InChIKey of 4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is CJJRTAJEACZVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-15-8-10-7-13(19)17-14(16-10)9-5-11-3-4-12(6-9)18(11)2/h7,9,11-12,15H,3-6,8H2,1-2H3,(H,16,17,19).
What are the key properties of 4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 262.36 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136927114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).