2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide

C8H11ClN4O3 — CID 136805709

IUPAC2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H11ClN4O3/c9-6-7(12-4-13-8(6)15)11-1-2-16-3-5(10)14/h4H,1-3H2,(H2,10,14)(H2,11,12,13,15)
InChIKeyQVBJFGHTXHTYFG-UHFFFAOYSA-N
MW246.65 g/mol
LogP-0.66
Rot. Bonds6

About 2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide

2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide (PubChem CID 136805709) has the molecular formula C8H11ClN4O3 and a molecular weight of 246.65 g/mol. Its IUPAC name is 2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
PubChem CID136805709
Molecular FormulaC8H11ClN4O3
Molecular Weight246.65 g/mol
Exact Mass246.05
IUPAC Name2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H11ClN4O3/c9-6-7(12-4-13-8(6)15)11-1-2-16-3-5(10)14/h4H,1-3H2,(H2,10,14)(H2,11,12,13,15)
InChIKeyQVBJFGHTXHTYFG-UHFFFAOYSA-N
XLogP-0.66
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896832
5-chloro-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975764
4-[3-(2-aminoethoxy)propylamino]-5-chloro-1H-pyrimidin-6-one
CID 136730545
5-chloro-4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764986
2-[2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805707
2-[2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805711
2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805713
2-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805714
5-chloro-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820292
4-[(1-amino-3-methoxypropan-2-yl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136870582
4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136896837
5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
CID 136971017

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide (CID 136805709) is 2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide is NC(=O)COCCNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
The InChIKey is QVBJFGHTXHTYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O3/c9-6-7(12-4-13-8(6)15)11-1-2-16-3-5(10)14/h4H,1-3H2,(H2,10,14)(H2,11,12,13,15).
What are the key properties of 2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide?
2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide has a molecular weight of 246.65 g/mol, XLogP of -0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 136805709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).