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

C15H23N3O — CID 136923774

IUPAC4-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(C2CC3CCC(C2)N3C)[nH]c(=O)c1C
InChIInChI=1S/C15H23N3O/c1-4-13-9(2)15(19)17-14(16-13)10-7-11-5-6-12(8-10)18(11)3/h10-12H,4-8H2,1-3H3,(H,16,17,19)
InChIKeyQOEUCGOMFKXQNV-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.98
Rot. Bonds2

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

4-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one (PubChem CID 136923774) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
PubChem CID136923774
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(C2CC3CCC(C2)N3C)[nH]c(=O)c1C
InChIInChI=1S/C15H23N3O/c1-4-13-9(2)15(19)17-14(16-13)10-7-11-5-6-12(8-10)18(11)3/h10-12H,4-8H2,1-3H3,(H,16,17,19)
InChIKeyQOEUCGOMFKXQNV-UHFFFAOYSA-N
XLogP1.98
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-methyl-4-[(3R)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92595743
3-methyl-4-[(3S)-piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92595745
3-methyl-4-piperidin-3-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110226349
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
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
2-cycloheptyl-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136239549
2-cycloheptyl-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136239553
2-cycloheptyl-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136239556
2,4-dimethyl-5-[1-[(2-methylcycloheptyl)amino]ethyl]-1H-pyrimidin-6-one
CID 136277607

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one (CID 136923774) is 4-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one is CCc1nc(C2CC3CCC(C2)N3C)[nH]c(=O)c1C.
What is the InChIKey of 4-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is QOEUCGOMFKXQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-13-9(2)15(19)17-14(16-13)10-7-11-5-6-12(8-10)18(11)3/h10-12H,4-8H2,1-3H3,(H,16,17,19).
What are the key properties of 4-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
4-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 261.37 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136923774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).