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

C15H23N3O — CID 136923768

IUPAC2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(C2CC3CCC(C2)N3C)n1
InChIInChI=1S/C15H23N3O/c1-9(2)13-8-14(19)17-15(16-13)10-6-11-4-5-12(7-10)18(11)3/h8-12H,4-7H2,1-3H3,(H,16,17,19)
InChIKeyFEAKEOMMSTWRKO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.23
Rot. Bonds2

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

2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136923768) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136923768
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(C2CC3CCC(C2)N3C)n1
InChIInChI=1S/C15H23N3O/c1-9(2)13-8-14(19)17-15(16-13)10-6-11-4-5-12(7-10)18(11)3/h8-12H,4-7H2,1-3H3,(H,16,17,19)
InChIKeyFEAKEOMMSTWRKO-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-yl-1H-pyrimidin-6-one (CID 136923768) is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(C2CC3CCC(C2)N3C)n1.
What is the InChIKey of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FEAKEOMMSTWRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9(2)13-8-14(19)17-15(16-13)10-6-11-4-5-12(7-10)18(11)3/h8-12H,4-7H2,1-3H3,(H,16,17,19).
What are the key properties of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 261.37 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136923768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).