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

C11H19N3O2 — CID 137009852

IUPAC4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCOCCN(C)c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C11H19N3O2/c1-4-9-12-10(8-11(15)13-9)14(3)6-7-16-5-2/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyDJYLYGQSROEAIX-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.81
Rot. Bonds6

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

4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 137009852) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID137009852
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCOCCN(C)c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C11H19N3O2/c1-4-9-12-10(8-11(15)13-9)14(3)6-7-16-5-2/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyDJYLYGQSROEAIX-UHFFFAOYSA-N
XLogP0.81
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 137009106
4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136989504
4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137008122
4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136752203
2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136989602
2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
CID 136979820
4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136972739
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanethioamide
CID 136973145
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 137009371
2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one
CID 136745753
4-[[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]methyl]benzoic acid
CID 136958553
4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136964631

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 137009852) is 4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCOCCN(C)c1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is DJYLYGQSROEAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-9-12-10(8-11(15)13-9)14(3)6-7-16-5-2/h8H,4-7H2,1-3H3,(H,12,13,15).
What are the key properties of 4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137009852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).