2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid

C11H16N2O4 — CID 136745791

IUPAC2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
SMILESCCOCCc1nc(C)c(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H16N2O4/c1-3-17-5-4-9-12-7(2)8(6-10(14)15)11(16)13-9/h3-6H2,1-2H3,(H,14,15)(H,12,13,16)
InChIKeyWNLBWNZGFWMBDF-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.28
Rot. Bonds6

About 2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid

2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid (PubChem CID 136745791) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
PubChem CID136745791
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
SMILESCCOCCc1nc(C)c(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H16N2O4/c1-3-17-5-4-9-12-7(2)8(6-10(14)15)11(16)13-9/h3-6H2,1-2H3,(H,14,15)(H,12,13,16)
InChIKeyWNLBWNZGFWMBDF-UHFFFAOYSA-N
XLogP0.28
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-Dimethyl-4-oxo-1,4-dihydropyrimidin-5-yl)acetic acid
CID 135399116
Ethyl (2-Methyl-6-trifluoromethyl-3H-pyrimidin-4-on-5-yl)acetate
CID 136102355
ethyl (2,6-dimethyl-3H-pyrimidin-4-on-5yl)acetate
CID 135459178
5-(2-hydroxyethyl)-2,6-dimethyl-1H-pyrimidin-4-one
CID 135459367
ethyl 2-butyl-5-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidine-4-carboxylate
CID 137292751
2-[4-methyl-6-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-5-yl]acetic acid
CID 136055366
2-[4-methyl-6-oxo-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-5-yl]acetic acid
CID 136283600
2-[2-(2,2-difluoroethoxy)ethyl]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136842442
5-(2-hydroxyethyl)-4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842443
2-[4-methyl-6-oxo-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-5-yl]acetic acid
CID 136842488
2-[4-amino-6-oxo-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-5-yl]acetic acid
CID 136842492
2-[4-methyl-6-oxo-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-5-yl]acetic acid
CID 136890469

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid (CID 136745791) is 2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid is CCOCCc1nc(C)c(CC(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is WNLBWNZGFWMBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-17-5-4-9-12-7(2)8(6-10(14)15)11(16)13-9/h3-6H2,1-2H3,(H,14,15)(H,12,13,16).
What are the key properties of 2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid?
2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 136745791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).