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

C14H21N3O2 — CID 136979691

IUPAC4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2C3CCC2CC(O)C3)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O2/c1-8(2)14-15-12(7-13(19)16-14)17-9-3-4-10(17)6-11(18)5-9/h7-11,18H,3-6H2,1-2H3,(H,15,16,19)
InChIKeyYRDWHHJFSUNVNZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.39
Rot. Bonds2

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

4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136979691) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136979691
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2C3CCC2CC(O)C3)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O2/c1-8(2)14-15-12(7-13(19)16-14)17-9-3-4-10(17)6-11(18)5-9/h7-11,18H,3-6H2,1-2H3,(H,15,16,19)
InChIKeyYRDWHHJFSUNVNZ-UHFFFAOYSA-N
XLogP1.39
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136979691) is 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2C3CCC2CC(O)C3)cc(=O)[nH]1.
What is the InChIKey of 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is YRDWHHJFSUNVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8(2)14-15-12(7-13(19)16-14)17-9-3-4-10(17)6-11(18)5-9/h7-11,18H,3-6H2,1-2H3,(H,15,16,19).
What are the key properties of 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136979691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).