2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid

C11H15N3O5S — CID 79457503

IUPAC2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NCCOCC(=O)O
InChIInChI=1S/C11H15N3O5S/c1-6-8(10(20-2)14-11(18)13-6)9(17)12-3-4-19-5-7(15)16/h3-5H2,1-2H3,(H,12,17)(H,15,16)(H,13,14,18)
InChIKeyVQIHBWPOTXTITA-UHFFFAOYSA-N
MW301.32 g/mol
LogP-0.37
Rot. Bonds7

About 2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid

2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid (PubChem CID 79457503) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid
PubChem CID79457503
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NCCOCC(=O)O
InChIInChI=1S/C11H15N3O5S/c1-6-8(10(20-2)14-11(18)13-6)9(17)12-3-4-19-5-7(15)16/h3-5H2,1-2H3,(H,12,17)(H,15,16)(H,13,14,18)
InChIKeyVQIHBWPOTXTITA-UHFFFAOYSA-N
XLogP-0.37
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]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

N-(3-hydroxypropyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 43500355
N-(3-hydroxy-4-methoxybutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 103876794
2-methyl-5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]pentanoic acid
CID 104682064
N-(2-hydroxy-3-methylbutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 115746127
2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 66172177
N-(3-hydroxy-2-methylpropyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 65037506
6-methyl-4-methylsulfanyl-2-oxo-N-(1H-pyrazol-4-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 54897359
6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 79487205
5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
CID 82845059
N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 62517553
2-[butan-2-yl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
CID 60829050
N-[(4-hydroxyoxan-4-yl)methyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 79490169

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid (CID 79457503) is 2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid is CSc1nc(=O)[nH]c(C)c1C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is VQIHBWPOTXTITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-6-8(10(20-2)14-11(18)13-6)9(17)12-3-4-19-5-7(15)16/h3-5H2,1-2H3,(H,12,17)(H,15,16)(H,13,14,18).
What are the key properties of 2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 301.32 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79457503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).