2-(2-methoxyethyl)-4-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one

C13H21N3O2 — CID 135860412

IUPAC2-(2-methoxyethyl)-4-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one
SMILESCOCCc1nc(C2CCN(C)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-16-6-3-10(4-7-16)11-9-13(17)15-12(14-11)5-8-18-2/h9-10H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyKKMWYWUJZQBJHP-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.77
Rot. Bonds4

About 2-(2-methoxyethyl)-4-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one

2-(2-methoxyethyl)-4-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one (PubChem CID 135860412) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-4-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-4-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one
PubChem CID135860412
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(2-methoxyethyl)-4-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one
SMILESCOCCc1nc(C2CCN(C)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-16-6-3-10(4-7-16)11-9-13(17)15-12(14-11)5-8-18-2/h9-10H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyKKMWYWUJZQBJHP-UHFFFAOYSA-N
XLogP0.77
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyethyl)-4-(1-methylpiperidin-4-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 2-(2-methoxyethyl)-4-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methoxyethyl)-4-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one (CID 135860412) is 2-(2-methoxyethyl)-4-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methoxyethyl)-4-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methoxyethyl)-4-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one is COCCc1nc(C2CCN(C)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-(2-methoxyethyl)-4-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is KKMWYWUJZQBJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16-6-3-10(4-7-16)11-9-13(17)15-12(14-11)5-8-18-2/h9-10H,3-8H2,1-2H3,(H,14,15,17).
What are the key properties of 2-(2-methoxyethyl)-4-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one?
2-(2-methoxyethyl)-4-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-4-(1-methylpiperidin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135860412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).