4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one

C15H24N4O — CID 136995911

IUPAC4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(N)nc(C2CC3CCC(C2)N3C)[nH]c1=O
InChIInChI=1S/C15H24N4O/c1-3-4-12-13(16)17-14(18-15(12)20)9-7-10-5-6-11(8-9)19(10)2/h9-11H,3-8H2,1-2H3,(H3,16,17,18,20)
InChIKeyXEBTWUSUMWZUIW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.64
Rot. Bonds3

About 4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one

4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 136995911) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one
PubChem CID136995911
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(N)nc(C2CC3CCC(C2)N3C)[nH]c1=O
InChIInChI=1S/C15H24N4O/c1-3-4-12-13(16)17-14(18-15(12)20)9-7-10-5-6-11(8-9)19(10)2/h9-11H,3-8H2,1-2H3,(H3,16,17,18,20)
InChIKeyXEBTWUSUMWZUIW-UHFFFAOYSA-N
XLogP1.64
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-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
4-amino-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrimidin-6-one
CID 137315398
4-hydroxy-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 112680559
5-ethyl-4-hydroxy-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 112680560
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113385067
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)-5-propyl-1H-pyrimidin-6-one
CID 115997685
4-hydroxy-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 115997686
4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 136923762
4-amino-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 136923763
4-amino-5-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 136923764
4,5-dimethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 136923769

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one (CID 136995911) is 4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(N)nc(C2CC3CCC(C2)N3C)[nH]c1=O.
What is the InChIKey of 4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is XEBTWUSUMWZUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-4-12-13(16)17-14(18-15(12)20)9-7-10-5-6-11(8-9)19(10)2/h9-11H,3-8H2,1-2H3,(H3,16,17,18,20).
What are the key properties of 4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one?
4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 276.38 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136995911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).