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

C10H15N3O2 — CID 136811799

IUPAC4-[(3S)-3-hydroxypiperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC[C@H](O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-7-11-9(5-10(15)12-7)13-4-2-3-8(14)6-13/h5,8,14H,2-4,6H2,1H3,(H,11,12,15)/t8-/m0/s1
InChIKeyDPZRRWLBEQXUBJ-QMMMGPOBSA-N
MW209.25 g/mol
LogP0.04
Rot. Bonds1

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

4-[(3S)-3-hydroxypiperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136811799) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[(3S)-3-hydroxypiperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3S)-3-hydroxypiperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136811799
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[(3S)-3-hydroxypiperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC[C@H](O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-7-11-9(5-10(15)12-7)13-4-2-3-8(14)6-13/h5,8,14H,2-4,6H2,1H3,(H,11,12,15)/t8-/m0/s1
InChIKeyDPZRRWLBEQXUBJ-QMMMGPOBSA-N
XLogP0.04
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.04
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-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3S)-3-hydroxypiperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 136811799) is 4-[(3S)-3-hydroxypiperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3S)-3-hydroxypiperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3S)-3-hydroxypiperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCC[C@H](O)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3S)-3-hydroxypiperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is DPZRRWLBEQXUBJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-11-9(5-10(15)12-7)13-4-2-3-8(14)6-13/h5,8,14H,2-4,6H2,1H3,(H,11,12,15)/t8-/m0/s1.
What are the key properties of 4-[(3S)-3-hydroxypiperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(3S)-3-hydroxypiperidin-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.04, 1 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136811799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).