2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one

C8H13N3O3 — CID 135730321

IUPAC2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one
SMILESCCOCCn1c(N)nc(O)cc1=O
InChIInChI=1S/C8H13N3O3/c1-2-14-4-3-11-7(13)5-6(12)10-8(11)9/h5,12H,2-4H2,1H3,(H2,9,10)
InChIKeyIDPVFIRACIJRLV-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.43
Rot. Bonds4

About 2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one

2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one (PubChem CID 135730321) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one
PubChem CID135730321
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one
SMILESCCOCCn1c(N)nc(O)cc1=O
InChIInChI=1S/C8H13N3O3/c1-2-14-4-3-11-7(13)5-6(12)10-8(11)9/h5,12H,2-4H2,1H3,(H2,9,10)
InChIKeyIDPVFIRACIJRLV-UHFFFAOYSA-N
XLogP-0.43
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
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-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one?
The IUPAC name of 2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one (CID 135730321) is 2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one.
What is the SMILES notation for 2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one?
The canonical SMILES for 2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one is CCOCCn1c(N)nc(O)cc1=O.
What is the InChIKey of 2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one?
The InChIKey is IDPVFIRACIJRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-14-4-3-11-7(13)5-6(12)10-8(11)9/h5,12H,2-4H2,1H3,(H2,9,10).
What are the key properties of 2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one?
2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one has a molecular weight of 199.21 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethoxyethyl)-6-hydroxypyrimidin-4-one is sourced from PubChem (CID 135730321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).