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

C13H20N4O — CID 136927112

IUPAC4-(aminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
SMILESCN1C2CCC1CC(c1nc(CN)cc(=O)[nH]1)C2
InChIInChI=1S/C13H20N4O/c1-17-10-2-3-11(17)5-8(4-10)13-15-9(7-14)6-12(18)16-13/h6,8,10-11H,2-5,7,14H2,1H3,(H,15,16,18)
InChIKeyYKCUKRPXVMURRL-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.57
Rot. Bonds2

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

4-(aminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one (PubChem CID 136927112) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
PubChem CID136927112
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-(aminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
SMILESCN1C2CCC1CC(c1nc(CN)cc(=O)[nH]1)C2
InChIInChI=1S/C13H20N4O/c1-17-10-2-3-11(17)5-8(4-10)13-15-9(7-14)6-12(18)16-13/h6,8,10-11H,2-5,7,14H2,1H3,(H,15,16,18)
InChIKeyYKCUKRPXVMURRL-UHFFFAOYSA-N
XLogP0.57
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-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-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 104747704
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
4-hydroxy-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 115997684
2-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136095677
2-(4-ethylcyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 136237692
4-(ethylaminomethyl)-2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one
CID 136237702
2-(4-ethylcyclohexyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136237704
4-(methylaminomethyl)-2-(4-propylcyclohexyl)-1H-pyrimidin-6-one
CID 136239625
4-[(propan-2-ylamino)methyl]-2-(4-propylcyclohexyl)-1H-pyrimidin-6-one
CID 136239643
2-(3-ethylcyclohexyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136249978

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(aminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one (CID 136927112) is 4-(aminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(aminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(aminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one is CN1C2CCC1CC(c1nc(CN)cc(=O)[nH]1)C2.
What is the InChIKey of 4-(aminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is YKCUKRPXVMURRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17-10-2-3-11(17)5-8(4-10)13-15-9(7-14)6-12(18)16-13/h6,8,10-11H,2-5,7,14H2,1H3,(H,15,16,18).
What are the key properties of 4-(aminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
4-(aminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136927112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).