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

C10H14N2O4 — CID 135907640

IUPAC2-[2-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
SMILESCOCCc1nc(C)c(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c1-6-7(5-9(13)14)10(15)12-8(11-6)3-4-16-2/h3-5H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyKJGANEKARPOQQN-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.11
Rot. Bonds5

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

2-[2-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid (PubChem CID 135907640) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[2-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
PubChem CID135907640
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[2-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
SMILESCOCCc1nc(C)c(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c1-6-7(5-9(13)14)10(15)12-8(11-6)3-4-16-2/h3-5H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyKJGANEKARPOQQN-UHFFFAOYSA-N
XLogP-0.11
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid (CID 135907640) is 2-[2-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid is COCCc1nc(C)c(CC(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[2-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is KJGANEKARPOQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6-7(5-9(13)14)10(15)12-8(11-6)3-4-16-2/h3-5H2,1-2H3,(H,13,14)(H,11,12,15).
What are the key properties of 2-[2-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid?
2-[2-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 226.23 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 135907640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).