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

C11H19N3O3 — CID 136764973

IUPAC4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCOCCOCCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O3/c1-9-13-10(8-11(15)14-9)12-4-3-5-17-7-6-16-2/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyJROMMPJGVPFOKK-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.54
Rot. Bonds8

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

4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136764973) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136764973
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCOCCOCCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O3/c1-9-13-10(8-11(15)14-9)12-4-3-5-17-7-6-16-2/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyJROMMPJGVPFOKK-UHFFFAOYSA-N
XLogP0.54
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.54
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

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-[3-(dimethylamino)propoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241441
2-methyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586396
2-methyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136290652
4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136696624
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136713906
2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730522
4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730523
4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136730526
2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730530

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one (CID 136764973) is 4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one is COCCOCCCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is JROMMPJGVPFOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-9-13-10(8-11(15)14-9)12-4-3-5-17-7-6-16-2/h8H,3-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one?
4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136764973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).