2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one

C12H21N3O3 — CID 136764972

IUPAC2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCOCCOC)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O3/c1-3-10-14-11(9-12(16)15-10)13-5-4-6-18-8-7-17-2/h9H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyJQWNNBYIEUFOSS-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.80
Rot. Bonds9

About 2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one

2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136764972) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136764972
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCOCCOC)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O3/c1-3-10-14-11(9-12(16)15-10)13-5-4-6-18-8-7-17-2/h9H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyJQWNNBYIEUFOSS-UHFFFAOYSA-N
XLogP0.80
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.80
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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Related Compounds

4-Amino-2-(2-ethoxyethyl)pyrimid-6-one
CID 136354624
2-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate
CID 137045061
2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927147
4-(2-ethoxyethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103240587
4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one
CID 103241443
2-ethyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one
CID 103241663
2-(2-Ethoxyethyl)pyrimidin-4-ol
CID 106814924
4-(3-aminopropoxy)-2-ethyl-1H-pyrimidin-6-one
CID 114586365
2-ethyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586391
2-ethyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278155
2-ethyl-4-(ethylamino)-1H-pyrimidin-6-one
CID 136278156

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one (CID 136764972) is 2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one is CCc1nc(NCCCOCCOC)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is JQWNNBYIEUFOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-10-14-11(9-12(16)15-10)13-5-4-6-18-8-7-17-2/h9H,3-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 255.32 g/mol, XLogP of 0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136764972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).