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

C10H15N3O4 — CID 136958652

IUPAC2-[2-methoxyethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCOCCN(CC(=O)O)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H15N3O4/c1-7-11-8(5-9(14)12-7)13(3-4-17-2)6-10(15)16/h5H,3-4,6H2,1-2H3,(H,15,16)(H,11,12,14)
InChIKeyBLIZUKRNMBCEMZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.38
Rot. Bonds6

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

2-[2-methoxyethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958652) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958652
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[2-methoxyethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCOCCN(CC(=O)O)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H15N3O4/c1-7-11-8(5-9(14)12-7)13(3-4-17-2)6-10(15)16/h5H,3-4,6H2,1-2H3,(H,15,16)(H,11,12,14)
InChIKeyBLIZUKRNMBCEMZ-UHFFFAOYSA-N
XLogP-0.38
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958652) is 2-[2-methoxyethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is COCCN(CC(=O)O)c1cc(=O)[nH]c(C)n1.
What is the InChIKey of 2-[2-methoxyethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is BLIZUKRNMBCEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-7-11-8(5-9(14)12-7)13(3-4-17-2)6-10(15)16/h5H,3-4,6H2,1-2H3,(H,15,16)(H,11,12,14).
What are the key properties of 2-[2-methoxyethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[2-methoxyethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 241.25 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).