2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid

C10H14N2O3 — CID 79218415

IUPAC2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESCCc1nc(=O)[nH]c(CC)c1CC(=O)O
InChIInChI=1S/C10H14N2O3/c1-3-7-6(5-9(13)14)8(4-2)12-10(15)11-7/h3-5H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyDSELLCGZYRWCHL-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.52
Rot. Bonds4

About 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid

2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 79218415) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID79218415
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESCCc1nc(=O)[nH]c(CC)c1CC(=O)O
InChIInChI=1S/C10H14N2O3/c1-3-7-6(5-9(13)14)8(4-2)12-10(15)11-7/h3-5H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyDSELLCGZYRWCHL-UHFFFAOYSA-N
XLogP0.52
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (CID 79218415) is 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is CCc1nc(=O)[nH]c(CC)c1CC(=O)O.
What is the InChIKey of 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is DSELLCGZYRWCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-7-6(5-9(13)14)8(4-2)12-10(15)11-7/h3-5H2,1-2H3,(H,13,14)(H,11,12,15).
What are the key properties of 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 79218415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).