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

C11H19N3O3 — CID 136780875

IUPAC4-amino-5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCCc1c(N)nc(CCOCCOC)[nH]c1=O
InChIInChI=1S/C11H19N3O3/c1-3-8-10(12)13-9(14-11(8)15)4-5-17-7-6-16-2/h3-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyMDQQBHXTKSSIOJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.12
Rot. Bonds7

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

4-amino-5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (PubChem CID 136780875) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-amino-5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
PubChem CID136780875
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-amino-5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCCc1c(N)nc(CCOCCOC)[nH]c1=O
InChIInChI=1S/C11H19N3O3/c1-3-8-10(12)13-9(14-11(8)15)4-5-17-7-6-16-2/h3-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyMDQQBHXTKSSIOJ-UHFFFAOYSA-N
XLogP0.12
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.12
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (CID 136780875) is 4-amino-5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is CCc1c(N)nc(CCOCCOC)[nH]c1=O.
What is the InChIKey of 4-amino-5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The InChIKey is MDQQBHXTKSSIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-8-10(12)13-9(14-11(8)15)4-5-17-7-6-16-2/h3-7H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-amino-5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
4-amino-5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).