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

C9H15N3O2 — CID 23525149

IUPAC2-amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one
SMILESCCOCCn1c(N)nc(C)cc1=O
InChIInChI=1S/C9H15N3O2/c1-3-14-5-4-12-8(13)6-7(2)11-9(12)10/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKeyHKYYXBYNKFZQCD-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.17
Rot. Bonds4

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

2-amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one (PubChem CID 23525149) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one
PubChem CID23525149
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one
SMILESCCOCCn1c(N)nc(C)cc1=O
InChIInChI=1S/C9H15N3O2/c1-3-14-5-4-12-8(13)6-7(2)11-9(12)10/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKeyHKYYXBYNKFZQCD-UHFFFAOYSA-N
XLogP0.17
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methylpyrimidin-4-one?
The IUPAC name of 2-amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one (CID 23525149) is 2-amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one is CCOCCn1c(N)nc(C)cc1=O.
What is the InChIKey of 2-amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one?
The InChIKey is HKYYXBYNKFZQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-14-5-4-12-8(13)6-7(2)11-9(12)10/h6H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 2-amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one?
2-amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one has a molecular weight of 197.24 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 23525149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).