2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide

C10H17N5O2 — CID 106241817

IUPAC2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide
SMILESCCc1c(N)ncnc1NCCOCC(N)=O
InChIInChI=1S/C10H17N5O2/c1-2-7-9(12)14-6-15-10(7)13-3-4-17-5-8(11)16/h6H,2-5H2,1H3,(H2,11,16)(H3,12,13,14,15)
InChIKeyLSJGLYBIMOWYJD-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.47
Rot. Bonds7

About 2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide

2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide (PubChem CID 106241817) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide
PubChem CID106241817
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide
SMILESCCc1c(N)ncnc1NCCOCC(N)=O
InChIInChI=1S/C10H17N5O2/c1-2-7-9(12)14-6-15-10(7)13-3-4-17-5-8(11)16/h6H,2-5H2,1H3,(H2,11,16)(H3,12,13,14,15)
InChIKeyLSJGLYBIMOWYJD-UHFFFAOYSA-N
XLogP-0.47
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide (CID 106241817) is 2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide is CCc1c(N)ncnc1NCCOCC(N)=O.
What is the InChIKey of 2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide?
The InChIKey is LSJGLYBIMOWYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-7-9(12)14-6-15-10(7)13-3-4-17-5-8(11)16/h6H,2-5H2,1H3,(H2,11,16)(H3,12,13,14,15).
What are the key properties of 2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide?
2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide has a molecular weight of 239.28 g/mol, XLogP of -0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106241817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).