4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one

C9H15N3O2 — CID 136741026

IUPAC4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(NCCOC)n1
InChIInChI=1S/C9H15N3O2/c1-3-7-6-8(13)12-9(11-7)10-4-5-14-2/h6H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyWVIQUMRKZSYFQX-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.39
Rot. Bonds5

About 4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one

4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136741026) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one
PubChem CID136741026
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(NCCOC)n1
InChIInChI=1S/C9H15N3O2/c1-3-7-6-8(13)12-9(11-7)10-4-5-14-2/h6H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyWVIQUMRKZSYFQX-UHFFFAOYSA-N
XLogP0.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.39
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

2-[(2-hydroxyethyl)amino]-6-methylpyrimidin-4(3H)-one
CID 135403602
2-(Methylamino)-6-propyl-3,4-dihydropyrimidin-4-one
CID 135973622
6-Ethyl-2-morpholin-4-yl-pyrimidin-4-ol
CID 135627635
2-[(2-Methoxyethyl)amino]-6-(trifluoromethyl)pyrimidin-4-ol
CID 136388284
2-Dimethylamino-6-ethyl-pyrimidin-4-ol
CID 135627634
2-(4-morpholinyl)-6-propyl-4(3H)-pyrimidinone
CID 135637369
2-Ethylamino-4-hydroxy-6-propylpyrimidine
CID 135773301
ethyl 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135850722
6-Ethyl-2-(methylamino)pyrimidin-4-ol
CID 135973624
1-methyl-3-(6-oxo-4-prop-2-enyl-1H-pyrimidin-2-yl)urea
CID 136645748
1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-methylurea
CID 157755080
[2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride
CID 177055083

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one (CID 136741026) is 4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(NCCOC)n1.
What is the InChIKey of 4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is WVIQUMRKZSYFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-7-6-8(13)12-9(11-7)10-4-5-14-2/h6H,3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one?
4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-methoxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).