2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide

C11H16N4O3 — CID 136805710

IUPAC2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H16N4O3/c12-8(16)6-18-4-3-13-9-5-10(17)15-11(14-9)7-1-2-7/h5,7H,1-4,6H2,(H2,12,16)(H2,13,14,15,17)
InChIKeyMKTDFQFNSBAOSZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.44
Rot. Bonds7

About 2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide

2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide (PubChem CID 136805710) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
PubChem CID136805710
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C11H16N4O3/c12-8(16)6-18-4-3-13-9-5-10(17)15-11(14-9)7-1-2-7/h5,7H,1-4,6H2,(H2,12,16)(H2,13,14,15,17)
InChIKeyMKTDFQFNSBAOSZ-UHFFFAOYSA-N
XLogP-0.44
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide 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-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide (CID 136805710) is 2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide is NC(=O)COCCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The InChIKey is MKTDFQFNSBAOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-8(16)6-18-4-3-13-9-5-10(17)15-11(14-9)7-1-2-7/h5,7H,1-4,6H2,(H2,12,16)(H2,13,14,15,17).
What are the key properties of 2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide has a molecular weight of 252.27 g/mol, XLogP of -0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 136805710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).