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

C12H19N3O4 — CID 136958651

IUPAC2-[2-methoxyethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCOCCN(CC(=O)O)c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C12H19N3O4/c1-8(2)12-13-9(6-10(16)14-12)15(4-5-19-3)7-11(17)18/h6,8H,4-5,7H2,1-3H3,(H,17,18)(H,13,14,16)
InChIKeyCOJGTNHFLPGQNZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.43
Rot. Bonds7

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

2-[2-methoxyethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958651) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958651
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[2-methoxyethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCOCCN(CC(=O)O)c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C12H19N3O4/c1-8(2)12-13-9(6-10(16)14-12)15(4-5-19-3)7-11(17)18/h6,8H,4-5,7H2,1-3H3,(H,17,18)(H,13,14,16)
InChIKeyCOJGTNHFLPGQNZ-UHFFFAOYSA-N
XLogP0.43
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958651) is 2-[2-methoxyethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid is COCCN(CC(=O)O)c1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 2-[2-methoxyethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is COJGTNHFLPGQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8(2)12-13-9(6-10(16)14-12)15(4-5-19-3)7-11(17)18/h6,8H,4-5,7H2,1-3H3,(H,17,18)(H,13,14,16).
What are the key properties of 2-[2-methoxyethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
2-[2-methoxyethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 269.30 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).