2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one

C12H21N3O3 — CID 135995651

IUPAC2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
SMILESCCOC(C)c1nc(CNCCOC)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O3/c1-4-18-9(2)12-14-10(7-11(16)15-12)8-13-5-6-17-3/h7,9,13H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyHXUONHMAFIZSPJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.60
Rot. Bonds8

About 2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one

2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 135995651) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
PubChem CID135995651
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
SMILESCCOC(C)c1nc(CNCCOC)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O3/c1-4-18-9(2)12-14-10(7-11(16)15-12)8-13-5-6-17-3/h7,9,13H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyHXUONHMAFIZSPJ-UHFFFAOYSA-N
XLogP0.60
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.60
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 2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one (CID 135995651) is 2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one is CCOC(C)c1nc(CNCCOC)cc(=O)[nH]1.
What is the InChIKey of 2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is HXUONHMAFIZSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-18-9(2)12-14-10(7-11(16)15-12)8-13-5-6-17-3/h7,9,13H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of 2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one?
2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 255.32 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135995651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).