5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C12H19N3O3 — CID 137004367

IUPAC5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCC1CCCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C12H19N3O3/c1-17-7-9-4-3-5-15(6-9)11-10(18-2)12(16)14-8-13-11/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyHEZQFUHQMYFAIU-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.64
Rot. Bonds4

About 5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137004367) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID137004367
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCC1CCCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C12H19N3O3/c1-17-7-9-4-3-5-15(6-9)11-10(18-2)12(16)14-8-13-11/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyHEZQFUHQMYFAIU-UHFFFAOYSA-N
XLogP0.64
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-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 5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 137004367) is 5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is COCC1CCCN(c2nc[nH]c(=O)c2OC)C1.
What is the InChIKey of 5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is HEZQFUHQMYFAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-17-7-9-4-3-5-15(6-9)11-10(18-2)12(16)14-8-13-11/h8-9H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137004367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).