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

C12H19N3O2 — CID 63554457

IUPAC4-hydroxy-2-piperidin-3-yl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CCCNC2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-2-4-9-11(16)14-10(15-12(9)17)8-5-3-6-13-7-8/h8,13H,2-7H2,1H3,(H2,14,15,16,17)
InChIKeyRWPWXCLLQJAMDE-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.89
Rot. Bonds3

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

4-hydroxy-2-piperidin-3-yl-5-propyl-1H-pyrimidin-6-one (PubChem CID 63554457) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-hydroxy-2-piperidin-3-yl-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-piperidin-3-yl-5-propyl-1H-pyrimidin-6-one
PubChem CID63554457
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-hydroxy-2-piperidin-3-yl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CCCNC2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-2-4-9-11(16)14-10(15-12(9)17)8-5-3-6-13-7-8/h8,13H,2-7H2,1H3,(H2,14,15,16,17)
InChIKeyRWPWXCLLQJAMDE-UHFFFAOYSA-N
XLogP0.89
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-piperidin-3-yl-5-propyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-piperidin-3-yl-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-piperidin-3-yl-5-propyl-1H-pyrimidin-6-one (CID 63554457) is 4-hydroxy-2-piperidin-3-yl-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-piperidin-3-yl-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-piperidin-3-yl-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C2CCCNC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-piperidin-3-yl-5-propyl-1H-pyrimidin-6-one?
The InChIKey is RWPWXCLLQJAMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-4-9-11(16)14-10(15-12(9)17)8-5-3-6-13-7-8/h8,13H,2-7H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-hydroxy-2-piperidin-3-yl-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-piperidin-3-yl-5-propyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-piperidin-3-yl-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63554457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).