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

C15H24N4O — CID 136995940

IUPAC4-(ethylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
SMILESCCNCc1cc(=O)[nH]c(C2CC3CCC(C2)N3C)n1
InChIInChI=1S/C15H24N4O/c1-3-16-9-11-8-14(20)18-15(17-11)10-6-12-4-5-13(7-10)19(12)2/h8,10,12-13,16H,3-7,9H2,1-2H3,(H,17,18,20)
InChIKeyCPUWBZOKHLSSQJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.22
Rot. Bonds4

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

4-(ethylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one (PubChem CID 136995940) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
PubChem CID136995940
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-(ethylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
SMILESCCNCc1cc(=O)[nH]c(C2CC3CCC(C2)N3C)n1
InChIInChI=1S/C15H24N4O/c1-3-16-9-11-8-14(20)18-15(17-11)10-6-12-4-5-13(7-10)19(12)2/h8,10,12-13,16H,3-7,9H2,1-2H3,(H,17,18,20)
InChIKeyCPUWBZOKHLSSQJ-UHFFFAOYSA-N
XLogP1.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(ethylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one (CID 136995940) is 4-(ethylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(ethylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(ethylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one is CCNCc1cc(=O)[nH]c(C2CC3CCC(C2)N3C)n1.
What is the InChIKey of 4-(ethylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is CPUWBZOKHLSSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-16-9-11-8-14(20)18-15(17-11)10-6-12-4-5-13(7-10)19(12)2/h8,10,12-13,16H,3-7,9H2,1-2H3,(H,17,18,20).
What are the key properties of 4-(ethylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
4-(ethylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 276.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136995940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).