6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine

C9H15N3O2 — CID 80858667

IUPAC6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine
SMILESCCOCCOc1ncnc(N)c1C
InChIInChI=1S/C9H15N3O2/c1-3-13-4-5-14-9-7(2)8(10)11-6-12-9/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyHBPFUMHBTDFVTJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.78
Rot. Bonds5

About 6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine

6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine (PubChem CID 80858667) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine
PubChem CID80858667
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine
SMILESCCOCCOc1ncnc(N)c1C
InChIInChI=1S/C9H15N3O2/c1-3-13-4-5-14-9-7(2)8(10)11-6-12-9/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyHBPFUMHBTDFVTJ-UHFFFAOYSA-N
XLogP0.78
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.78
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 6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine (CID 80858667) is 6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine is CCOCCOc1ncnc(N)c1C.
What is the InChIKey of 6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine?
The InChIKey is HBPFUMHBTDFVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-13-4-5-14-9-7(2)8(10)11-6-12-9/h6H,3-5H2,1-2H3,(H2,10,11,12).
What are the key properties of 6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine?
6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine has a molecular weight of 197.24 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80858667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).