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

C8H12N4O2 — CID 136956104

IUPACN-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N4O2/c1-6(13)9-2-3-10-7-4-8(14)12-5-11-7/h4-5H,2-3H2,1H3,(H,9,13)(H2,10,11,12,14)
InChIKeyBAUQBQKNJSHHHM-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.68
Rot. Bonds4

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

N-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 136956104) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID136956104
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N4O2/c1-6(13)9-2-3-10-7-4-8(14)12-5-11-7/h4-5H,2-3H2,1H3,(H,9,13)(H2,10,11,12,14)
InChIKeyBAUQBQKNJSHHHM-UHFFFAOYSA-N
XLogP-0.68
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide (CID 136956104) is N-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide is CC(=O)NCCNc1cc(=O)[nH]cn1.
What is the InChIKey of N-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is BAUQBQKNJSHHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-6(13)9-2-3-10-7-4-8(14)12-5-11-7/h4-5H,2-3H2,1H3,(H,9,13)(H2,10,11,12,14).
What are the key properties of N-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide?
N-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 196.21 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 136956104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).