5-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one

C10H17N3O2 — CID 136741031

IUPAC5-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(NCCOC)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-4-8-7(2)12-10(13-9(8)14)11-5-6-15-3/h4-6H2,1-3H3,(H2,11,12,13,14)
InChIKeyBYEHCJJWUHJEJK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.70
Rot. Bonds5

About 5-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one

5-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136741031) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one
PubChem CID136741031
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(NCCOC)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-4-8-7(2)12-10(13-9(8)14)11-5-6-15-3/h4-6H2,1-3H3,(H2,11,12,13,14)
InChIKeyBYEHCJJWUHJEJK-UHFFFAOYSA-N
XLogP0.70
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-ethyl-2-(2-methoxyethylamino)-4-methyl-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-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one (CID 136741031) is 5-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(NCCOC)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BYEHCJJWUHJEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-8-7(2)12-10(13-9(8)14)11-5-6-15-3/h4-6H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 5-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one?
5-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-methoxyethylamino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136741031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).