2-[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-(2-methoxyethyl)amino]acetic acid

C13H19N3O5 — CID 137025295

IUPAC2-[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C13H19N3O5/c1-8-10(13(20)15-9(2)14-8)6-11(17)16(4-5-21-3)7-12(18)19/h4-7H2,1-3H3,(H,18,19)(H,14,15,20)
InChIKeyRBHRFBAERZSCER-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.51
Rot. Bonds7

About 2-[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-(2-methoxyethyl)amino]acetic acid

2-[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 137025295) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID137025295
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C13H19N3O5/c1-8-10(13(20)15-9(2)14-8)6-11(17)16(4-5-21-3)7-12(18)19/h4-7H2,1-3H3,(H,18,19)(H,14,15,20)
InChIKeyRBHRFBAERZSCER-UHFFFAOYSA-N
XLogP-0.51
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-(2-methoxyethyl)amino]acetic acid (CID 137025295) is 2-[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)Cc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of 2-[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is RBHRFBAERZSCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-8-10(13(20)15-9(2)14-8)6-11(17)16(4-5-21-3)7-12(18)19/h4-7H2,1-3H3,(H,18,19)(H,14,15,20).
What are the key properties of 2-[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-(2-methoxyethyl)amino]acetic acid?
2-[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 297.31 g/mol, XLogP of -0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 137025295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).