4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one

C10H15N3O2 — CID 22618178

IUPAC4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CN2CCCCC2)[nH]1
InChIInChI=1S/C10H15N3O2/c14-9-6-10(15)12-8(11-9)7-13-4-2-1-3-5-13/h6H,1-5,7H2,(H2,11,12,14,15)
InChIKeyPFWALEJYYGDQEL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.46
Rot. Bonds2

About 4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one

4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 22618178) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
PubChem CID22618178
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CN2CCCCC2)[nH]1
InChIInChI=1S/C10H15N3O2/c14-9-6-10(15)12-8(11-9)7-13-4-2-1-3-5-13/h6H,1-5,7H2,(H2,11,12,14,15)
InChIKeyPFWALEJYYGDQEL-UHFFFAOYSA-N
XLogP0.46
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one (CID 22618178) is 4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one is O=c1cc(O)nc(CN2CCCCC2)[nH]1.
What is the InChIKey of 4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is PFWALEJYYGDQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-9-6-10(15)12-8(11-9)7-13-4-2-1-3-5-13/h6H,1-5,7H2,(H2,11,12,14,15).
What are the key properties of 4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 22618178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).