2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one

C12H14N4O2 — CID 136741034

IUPAC2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOCCNc1nc(-c2ccncc2)cc(=O)[nH]1
InChIInChI=1S/C12H14N4O2/c1-18-7-6-14-12-15-10(8-11(17)16-12)9-2-4-13-5-3-9/h2-5,8H,6-7H2,1H3,(H2,14,15,16,17)
InChIKeyUYSYBNYGKCPEHZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.89
Rot. Bonds5

About 2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one

2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 136741034) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID136741034
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOCCNc1nc(-c2ccncc2)cc(=O)[nH]1
InChIInChI=1S/C12H14N4O2/c1-18-7-6-14-12-15-10(8-11(17)16-12)9-2-4-13-5-3-9/h2-5,8H,6-7H2,1H3,(H2,14,15,16,17)
InChIKeyUYSYBNYGKCPEHZ-UHFFFAOYSA-N
XLogP0.89
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethylamino)-4-pyridin-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-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 136741034) is 2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one is COCCNc1nc(-c2ccncc2)cc(=O)[nH]1.
What is the InChIKey of 2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is UYSYBNYGKCPEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-7-6-14-12-15-10(8-11(17)16-12)9-2-4-13-5-3-9/h2-5,8H,6-7H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 246.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136741034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).