5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one

C9H15N3O4 — CID 103241975

IUPAC5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCOCCOCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N3O4/c1-14-2-3-15-4-5-16-9-7(10)8(13)11-6-12-9/h6H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyPQVLWAYZIQSZJU-UHFFFAOYSA-N
MW229.24 g/mol
LogP-0.61
Rot. Bonds7

About 5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one

5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one (PubChem CID 103241975) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one
PubChem CID103241975
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCOCCOCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N3O4/c1-14-2-3-15-4-5-16-9-7(10)8(13)11-6-12-9/h6H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyPQVLWAYZIQSZJU-UHFFFAOYSA-N
XLogP-0.61
TPSA99.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.61
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 5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one (CID 103241975) is 5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one is COCCOCCOc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is PQVLWAYZIQSZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-14-2-3-15-4-5-16-9-7(10)8(13)11-6-12-9/h6H,2-5,10H2,1H3,(H,11,12,13).
What are the key properties of 5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one?
5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 229.24 g/mol, XLogP of -0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).