4-[(3S)-3-hydroxypiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one

C12H19N3O2 — CID 136811792

IUPAC4-[(3S)-3-hydroxypiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC[C@H](O)C2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(2)12-13-10(6-11(17)14-12)15-5-3-4-9(16)7-15/h6,8-9,16H,3-5,7H2,1-2H3,(H,13,14,17)/t9-/m0/s1
InChIKeyFWYVFLZGUVRZMP-VIFPVBQESA-N
MW237.30 g/mol
LogP0.85
Rot. Bonds2

About 4-[(3S)-3-hydroxypiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(3S)-3-hydroxypiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136811792) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(3S)-3-hydroxypiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3S)-3-hydroxypiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136811792
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(3S)-3-hydroxypiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC[C@H](O)C2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(2)12-13-10(6-11(17)14-12)15-5-3-4-9(16)7-15/h6,8-9,16H,3-5,7H2,1-2H3,(H,13,14,17)/t9-/m0/s1
InChIKeyFWYVFLZGUVRZMP-VIFPVBQESA-N
XLogP0.85
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-hydroxypiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3S)-3-hydroxypiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136811792) is 4-[(3S)-3-hydroxypiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3S)-3-hydroxypiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3S)-3-hydroxypiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCC[C@H](O)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3S)-3-hydroxypiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FWYVFLZGUVRZMP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)12-13-10(6-11(17)14-12)15-5-3-4-9(16)7-15/h6,8-9,16H,3-5,7H2,1-2H3,(H,13,14,17)/t9-/m0/s1.
What are the key properties of 4-[(3S)-3-hydroxypiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(3S)-3-hydroxypiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-hydroxypiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136811792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).