6-amino-5-(2-ethoxyethylselanyl)-1H-pyrimidin-2-one

C8H13N3O2Se — CID 46862010

IUPAC6-amino-5-(2-ethoxyethylselanyl)-1H-pyrimidin-2-one
SMILESCCOCC[Se]c1cnc(=O)[nH]c1N
InChIInChI=1S/C8H13N3O2Se/c1-2-13-3-4-14-6-5-10-8(12)11-7(6)9/h5H,2-4H2,1H3,(H3,9,10,11,12)
InChIKeyYFDZQVKNNNFDNO-UHFFFAOYSA-N
MW262.17 g/mol
LogP-0.86
Rot. Bonds5

About 6-amino-5-(2-ethoxyethylselanyl)-1H-pyrimidin-2-one

6-amino-5-(2-ethoxyethylselanyl)-1H-pyrimidin-2-one (PubChem CID 46862010) has the molecular formula C8H13N3O2Se and a molecular weight of 262.17 g/mol. Its IUPAC name is 6-amino-5-(2-ethoxyethylselanyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(2-ethoxyethylselanyl)-1H-pyrimidin-2-one
PubChem CID46862010
Molecular FormulaC8H13N3O2Se
Molecular Weight262.17 g/mol
Exact Mass263.02
IUPAC Name6-amino-5-(2-ethoxyethylselanyl)-1H-pyrimidin-2-one
SMILESCCOCC[Se]c1cnc(=O)[nH]c1N
InChIInChI=1S/C8H13N3O2Se/c1-2-13-3-4-14-6-5-10-8(12)11-7(6)9/h5H,2-4H2,1H3,(H3,9,10,11,12)
InChIKeyYFDZQVKNNNFDNO-UHFFFAOYSA-N
XLogP-0.86
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1H-pyrimidin-2-one;ethoxyethane
CID 22480717
6-amino-5-ethoxy-1H-pyrimidin-2-one
CID 100960514

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-ethoxyethylselanyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(2-ethoxyethylselanyl)-1H-pyrimidin-2-one (CID 46862010) is 6-amino-5-(2-ethoxyethylselanyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(2-ethoxyethylselanyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(2-ethoxyethylselanyl)-1H-pyrimidin-2-one is CCOCC[Se]c1cnc(=O)[nH]c1N.
What is the InChIKey of 6-amino-5-(2-ethoxyethylselanyl)-1H-pyrimidin-2-one?
The InChIKey is YFDZQVKNNNFDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2Se/c1-2-13-3-4-14-6-5-10-8(12)11-7(6)9/h5H,2-4H2,1H3,(H3,9,10,11,12).
What are the key properties of 6-amino-5-(2-ethoxyethylselanyl)-1H-pyrimidin-2-one?
6-amino-5-(2-ethoxyethylselanyl)-1H-pyrimidin-2-one has a molecular weight of 262.17 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-ethoxyethylselanyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 46862010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).