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

C8H13N3O3 — CID 23525152

IUPAC2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
SMILESCCOCCOc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C8H13N3O3/c1-2-13-3-4-14-7-5-6(12)10-8(9)11-7/h5H,2-4H2,1H3,(H3,9,10,11,12)
InChIKeyPXEVFFLWSNKMQC-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.23
Rot. Bonds5

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

2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one (PubChem CID 23525152) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
PubChem CID23525152
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
SMILESCCOCCOc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C8H13N3O3/c1-2-13-3-4-14-7-5-6(12)10-8(9)11-7/h5H,2-4H2,1H3,(H3,9,10,11,12)
InChIKeyPXEVFFLWSNKMQC-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

2-Amino-4-hydroxy-6-methoxypyrimidine
CID 1532133
6-Amino-2-(2-methoxyethoxy)pyrimidin-4(3h)-one
CID 136203225
2-Amino-6-ethoxypyrimidin-4(3H)-one
CID 587657
2-Methoxy-4-ethoxy-6-hydroxypyrimidine
CID 12258859
2-Ethoxy-6-methoxypyrimidin-4(1H)-one
CID 12258860
2-Dimethylamino-4-n-propoxy-6-hydroxy-pyrimidine
CID 21415043
2-(Dimethylamino)-6-ethoxypyrimidin-4(1H)-one
CID 21415045
2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one
CID 23525150
2-amino-4-[2-[di(propan-2-yl)phosphanylmethoxy]ethoxy]-1H-pyrimidin-6-one
CID 69767739
2-amino-4-[2-[di(propan-2-yl)phosphorylmethoxy]ethoxy]-1H-pyrimidin-6-one
CID 141061269
2-amino-4-[2-[(oxo-lambda5-phosphanylidyne)methoxy]ethoxy]-1H-pyrimidin-6-one
CID 141061279
4-methoxy-2-propoxy-1H-pyrimidin-6-one
CID 163564133

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one (CID 23525152) is 2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one is CCOCCOc1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is PXEVFFLWSNKMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-13-3-4-14-7-5-6(12)10-8(9)11-7/h5H,2-4H2,1H3,(H3,9,10,11,12).
What are the key properties of 2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one?
2-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 2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 23525152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).