5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one

C11H17N3O2 — CID 63554456

IUPAC5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2CCCNC2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-2-8-10(15)13-9(14-11(8)16)7-4-3-5-12-6-7/h7,12H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyRCJOMKMIVIHXDM-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.50
Rot. Bonds2

About 5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one (PubChem CID 63554456) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
PubChem CID63554456
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2CCCNC2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-2-8-10(15)13-9(14-11(8)16)7-4-3-5-12-6-7/h7,12H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyRCJOMKMIVIHXDM-UHFFFAOYSA-N
XLogP0.50
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one (CID 63554456) is 5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one is CCc1c(O)nc(C2CCCNC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one?
The InChIKey is RCJOMKMIVIHXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-8-10(15)13-9(14-11(8)16)7-4-3-5-12-6-7/h7,12H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63554456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).