4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one

C7H11N3O2 — CID 114586297

IUPAC4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCNCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C7H11N3O2/c1-8-2-3-12-7-4-6(11)9-5-10-7/h4-5,8H,2-3H2,1H3,(H,9,10,11)
InChIKeyFHSZHWROOIUKAH-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.63
Rot. Bonds4

About 4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one

4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114586297) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114586297
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCNCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C7H11N3O2/c1-8-2-3-12-7-4-6(11)9-5-10-7/h4-5,8H,2-3H2,1H3,(H,9,10,11)
InChIKeyFHSZHWROOIUKAH-UHFFFAOYSA-N
XLogP-0.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-4-1H-pyrimidinone
CID 3770663
6-ethoxypyrimidin-4(1H)-one
CID 45080261
4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 59665181
4-propoxy-1H-pyrimidin-6-one
CID 89293896
4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240613
2-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 136473820
4-cyclopropyloxy-1H-pyrimidin-6-one
CID 178112215
4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741500
4-ethoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240575
4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240589
4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 103240667
4-propan-2-yloxy-1H-pyrimidin-6-one
CID 103240689

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one (CID 114586297) is 4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one is CNCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is FHSZHWROOIUKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-8-2-3-12-7-4-6(11)9-5-10-7/h4-5,8H,2-3H2,1H3,(H,9,10,11).
What are the key properties of 4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).