6-amino-1H-pyrimidin-2-one;ethoxyethane

C8H15N3O2 — CID 22480717

IUPAC6-amino-1H-pyrimidin-2-one;ethoxyethane
SMILESCCOCC.Nc1ccnc(=O)[nH]1
InChIInChI=1S/C4H5N3O.C4H10O/c5-3-1-2-6-4(8)7-3;1-3-5-4-2/h1-2H,(H3,5,6,7,8);3-4H2,1-2H3
InChIKeyQFPLHFKATAOQLI-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.39
Rot. Bonds2

About 6-amino-1H-pyrimidin-2-one;ethoxyethane

6-amino-1H-pyrimidin-2-one;ethoxyethane (PubChem CID 22480717) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 6-amino-1H-pyrimidin-2-one;ethoxyethane.

Molecular Properties

Compound Name6-amino-1H-pyrimidin-2-one;ethoxyethane
PubChem CID22480717
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name6-amino-1H-pyrimidin-2-one;ethoxyethane
SMILESCCOCC.Nc1ccnc(=O)[nH]1
InChIInChI=1S/C4H5N3O.C4H10O/c5-3-1-2-6-4(8)7-3;1-3-5-4-2/h1-2H,(H3,5,6,7,8);3-4H2,1-2H3
InChIKeyQFPLHFKATAOQLI-UHFFFAOYSA-N
XLogP0.39
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-pyrimidin-2-one;ethoxyethane?
The IUPAC name of 6-amino-1H-pyrimidin-2-one;ethoxyethane (CID 22480717) is 6-amino-1H-pyrimidin-2-one;ethoxyethane.
What is the SMILES notation for 6-amino-1H-pyrimidin-2-one;ethoxyethane?
The canonical SMILES for 6-amino-1H-pyrimidin-2-one;ethoxyethane is CCOCC.Nc1ccnc(=O)[nH]1.
What is the InChIKey of 6-amino-1H-pyrimidin-2-one;ethoxyethane?
The InChIKey is QFPLHFKATAOQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.C4H10O/c5-3-1-2-6-4(8)7-3;1-3-5-4-2/h1-2H,(H3,5,6,7,8);3-4H2,1-2H3.
What are the key properties of 6-amino-1H-pyrimidin-2-one;ethoxyethane?
6-amino-1H-pyrimidin-2-one;ethoxyethane has a molecular weight of 185.23 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-pyrimidin-2-one;ethoxyethane is sourced from PubChem (CID 22480717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).