5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one

C8H13N3O3 — CID 103240580

IUPAC5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
SMILESCCOCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H13N3O3/c1-2-13-3-4-14-8-6(9)7(12)10-5-11-8/h5H,2-4,9H2,1H3,(H,10,11,12)
InChIKeySCEDYUQWNVVFHA-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.23
Rot. Bonds5

About 5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one

5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103240580) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
PubChem CID103240580
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
SMILESCCOCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H13N3O3/c1-2-13-3-4-14-8-6(9)7(12)10-5-11-8/h5H,2-4,9H2,1H3,(H,10,11,12)
InChIKeySCEDYUQWNVVFHA-UHFFFAOYSA-N
XLogP-0.23
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241910
5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241923
5-amino-4-(2-methylprop-1-enoxy)-1H-pyrimidin-6-one
CID 167252825
5-Amino-6-ethoxypyrimidin-4-ol
CID 19152432
5-Amino-6-(propan-2-yloxy)pyrimidin-4-ol
CID 19152493
5-Amino-6-methoxypyrimidin-4-OL
CID 80139245
5-Amino-6-propoxypyrimidin-4-ol
CID 80141728
5-amino-4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240430
5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
CID 103240448
5-amino-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103240479
5-amino-4-hexoxy-1H-pyrimidin-6-one
CID 103240490
4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240589

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one (CID 103240580) is 5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one is CCOCCOc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is SCEDYUQWNVVFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-13-3-4-14-8-6(9)7(12)10-5-11-8/h5H,2-4,9H2,1H3,(H,10,11,12).
What are the key properties of 5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one?
5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 199.21 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).