2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide

C8H10Cl2N4O2 — CID 106240010

IUPAC2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1nc(Cl)ncc1Cl
InChIInChI=1S/C8H10Cl2N4O2/c9-5-3-13-8(10)14-7(5)12-1-2-16-4-6(11)15/h3H,1-2,4H2,(H2,11,15)(H,12,13,14)
InChIKeyUKEZGUXYZIEXTE-UHFFFAOYSA-N
MW265.10 g/mol
LogP0.70
Rot. Bonds6

About 2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide

2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide (PubChem CID 106240010) has the molecular formula C8H10Cl2N4O2 and a molecular weight of 265.10 g/mol. Its IUPAC name is 2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide
PubChem CID106240010
Molecular FormulaC8H10Cl2N4O2
Molecular Weight265.10 g/mol
Exact Mass264.02
IUPAC Name2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1nc(Cl)ncc1Cl
InChIInChI=1S/C8H10Cl2N4O2/c9-5-3-13-8(10)14-7(5)12-1-2-16-4-6(11)15/h3H,1-2,4H2,(H2,11,15)(H,12,13,14)
InChIKeyUKEZGUXYZIEXTE-UHFFFAOYSA-N
XLogP0.70
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide (CID 106240010) is 2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide is NC(=O)COCCNc1nc(Cl)ncc1Cl.
What is the InChIKey of 2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide?
The InChIKey is UKEZGUXYZIEXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N4O2/c9-5-3-13-8(10)14-7(5)12-1-2-16-4-6(11)15/h3H,1-2,4H2,(H2,11,15)(H,12,13,14).
What are the key properties of 2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide?
2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide has a molecular weight of 265.10 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106240010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).