4-amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one

C9H15N3O3 — CID 10584699

IUPAC4-amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one
SMILESCCc1cn(COCCO)c(=O)nc1N
InChIInChI=1S/C9H15N3O3/c1-2-7-5-12(6-15-4-3-13)9(14)11-8(7)10/h5,13H,2-4,6H2,1H3,(H2,10,11,14)
InChIKeyQNEQDJPLSKWFPA-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.65
Rot. Bonds5

About 4-amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one

4-amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one (PubChem CID 10584699) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one
PubChem CID10584699
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one
SMILESCCc1cn(COCCO)c(=O)nc1N
InChIInChI=1S/C9H15N3O3/c1-2-7-5-12(6-15-4-3-13)9(14)11-8(7)10/h5,13H,2-4,6H2,1H3,(H2,10,11,14)
InChIKeyQNEQDJPLSKWFPA-UHFFFAOYSA-N
XLogP-0.65
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.65
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 4-amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one (CID 10584699) is 4-amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one is CCc1cn(COCCO)c(=O)nc1N.
What is the InChIKey of 4-amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one?
The InChIKey is QNEQDJPLSKWFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-2-7-5-12(6-15-4-3-13)9(14)11-8(7)10/h5,13H,2-4,6H2,1H3,(H2,10,11,14).
What are the key properties of 4-amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one?
4-amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one has a molecular weight of 213.24 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one is sourced from PubChem (CID 10584699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).