2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide

C8H11ClN4O2 — CID 106240051

IUPAC2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1cc(Cl)ncn1
InChIInChI=1S/C8H11ClN4O2/c9-6-3-8(13-5-12-6)11-1-2-15-4-7(10)14/h3,5H,1-2,4H2,(H2,10,14)(H,11,12,13)
InChIKeyODOWPVQARQUZMF-UHFFFAOYSA-N
MW230.66 g/mol
LogP0.04
Rot. Bonds6

About 2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide

2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide (PubChem CID 106240051) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.66 g/mol. Its IUPAC name is 2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide
PubChem CID106240051
Molecular FormulaC8H11ClN4O2
Molecular Weight230.66 g/mol
Exact Mass230.06
IUPAC Name2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1cc(Cl)ncn1
InChIInChI=1S/C8H11ClN4O2/c9-6-3-8(13-5-12-6)11-1-2-15-4-7(10)14/h3,5H,1-2,4H2,(H2,10,14)(H,11,12,13)
InChIKeyODOWPVQARQUZMF-UHFFFAOYSA-N
XLogP0.04
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 50.04
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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Related Compounds

2-[2-[(6-ethylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106239747
5-[(6-chloropyrimidin-4-yl)amino]pentanamide
CID 106239916
2-[2-[(4-amino-2-pyridinyl)amino]ethoxy]acetamide
CID 106234601
2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 114162689
2-[2-[(6-chloro-4-cyano-2-pyridinyl)amino]ethoxy]acetamide
CID 106240014
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide
CID 103767651
6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82944385
6-chloro-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 53410275
3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106178679
2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide
CID 106239797
2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride
CID 134263966
2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240010

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide (CID 106240051) is 2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide is NC(=O)COCCNc1cc(Cl)ncn1.
What is the InChIKey of 2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide?
The InChIKey is ODOWPVQARQUZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c9-6-3-8(13-5-12-6)11-1-2-15-4-7(10)14/h3,5H,1-2,4H2,(H2,10,14)(H,11,12,13).
What are the key properties of 2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide?
2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide has a molecular weight of 230.66 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106240051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).