2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one

C11H17N3O2 — CID 22618160

IUPAC2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCN1CCC(c2nc(O)cc(=O)[nH]2)CC1
InChIInChI=1S/C11H17N3O2/c1-2-14-5-3-8(4-6-14)11-12-9(15)7-10(16)13-11/h7-8H,2-6H2,1H3,(H2,12,13,15,16)
InChIKeyBLBKOHVKWYHLCJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.67
Rot. Bonds2

About 2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one

2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 22618160) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID22618160
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCN1CCC(c2nc(O)cc(=O)[nH]2)CC1
InChIInChI=1S/C11H17N3O2/c1-2-14-5-3-8(4-6-14)11-12-9(15)7-10(16)13-11/h7-8H,2-6H2,1H3,(H2,12,13,15,16)
InChIKeyBLBKOHVKWYHLCJ-UHFFFAOYSA-N
XLogP0.67
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 22618160) is 2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one is CCN1CCC(c2nc(O)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is BLBKOHVKWYHLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-14-5-3-8(4-6-14)11-12-9(15)7-10(16)13-11/h7-8H,2-6H2,1H3,(H2,12,13,15,16).
What are the key properties of 2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 22618160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).