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

C8H12N4O2 — CID 136713552

IUPAC2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide
SMILESCCN(CC(N)=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N4O2/c1-2-12(4-6(9)13)7-3-8(14)11-5-10-7/h3,5H,2,4H2,1H3,(H2,9,13)(H,10,11,14)
InChIKeyZLYJMZDEDNSRIJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.92
Rot. Bonds4

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

2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide (PubChem CID 136713552) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide
PubChem CID136713552
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide
SMILESCCN(CC(N)=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N4O2/c1-2-12(4-6(9)13)7-3-8(14)11-5-10-7/h3,5H,2,4H2,1H3,(H2,9,13)(H,10,11,14)
InChIKeyZLYJMZDEDNSRIJ-UHFFFAOYSA-N
XLogP-0.92
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide (CID 136713552) is 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide is CCN(CC(N)=O)c1cc(=O)[nH]cn1.
What is the InChIKey of 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The InChIKey is ZLYJMZDEDNSRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-12(4-6(9)13)7-3-8(14)11-5-10-7/h3,5H,2,4H2,1H3,(H2,9,13)(H,10,11,14).
What are the key properties of 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide has a molecular weight of 196.21 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 136713552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).