2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one

C12H21N3O4 — CID 23525151

IUPAC2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one
SMILESCCOCCOc1cc(=O)n(CCOCC)c(N)n1
InChIInChI=1S/C12H21N3O4/c1-3-17-6-5-15-11(16)9-10(14-12(15)13)19-8-7-18-4-2/h9H,3-8H2,1-2H3,(H2,13,14)
InChIKeyORVSAUNWSMKVRK-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.28
Rot. Bonds9

About 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one

2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one (PubChem CID 23525151) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one
PubChem CID23525151
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one
SMILESCCOCCOc1cc(=O)n(CCOCC)c(N)n1
InChIInChI=1S/C12H21N3O4/c1-3-17-6-5-15-11(16)9-10(14-12(15)13)19-8-7-18-4-2/h9H,3-8H2,1-2H3,(H2,13,14)
InChIKeyORVSAUNWSMKVRK-UHFFFAOYSA-N
XLogP0.28
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one?
The IUPAC name of 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one (CID 23525151) is 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one is CCOCCOc1cc(=O)n(CCOCC)c(N)n1.
What is the InChIKey of 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one?
The InChIKey is ORVSAUNWSMKVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-17-6-5-15-11(16)9-10(14-12(15)13)19-8-7-18-4-2/h9H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one?
2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one has a molecular weight of 271.32 g/mol, XLogP of 0.28, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-ethoxyethoxy)-3-(2-ethoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 23525151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).