4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one

C12H19N3O2 — CID 63554096

IUPAC4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2CCCCN2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-7(2)9-11(16)14-10(15-12(9)17)8-5-3-4-6-13-8/h7-8,13H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyBPVORHJEBQGDBX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.41
Rot. Bonds2

About 4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63554096) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63554096
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2CCCCN2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-7(2)9-11(16)14-10(15-12(9)17)8-5-3-4-6-13-8/h7-8,13H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyBPVORHJEBQGDBX-UHFFFAOYSA-N
XLogP1.41
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one (CID 63554096) is 4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(C2CCCCN2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is BPVORHJEBQGDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7(2)9-11(16)14-10(15-12(9)17)8-5-3-4-6-13-8/h7-8,13H,3-6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-piperidin-2-yl-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63554096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).