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

C10H15N3O2 — CID 63554279

IUPAC4-hydroxy-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CCCCN2)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-6-9(14)12-8(13-10(6)15)7-4-2-3-5-11-7/h7,11H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyIBVOVQMJRMSDAB-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.60
Rot. Bonds1

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

4-hydroxy-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one (PubChem CID 63554279) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one
PubChem CID63554279
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-hydroxy-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CCCCN2)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-6-9(14)12-8(13-10(6)15)7-4-2-3-5-11-7/h7,11H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyIBVOVQMJRMSDAB-UHFFFAOYSA-N
XLogP0.60
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one (CID 63554279) is 4-hydroxy-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one is Cc1c(O)nc(C2CCCCN2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one?
The InChIKey is IBVOVQMJRMSDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-9(14)12-8(13-10(6)15)7-4-2-3-5-11-7/h7,11H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63554279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).