2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid

C11H16N2O3 — CID 135970689

IUPAC2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C11H16N2O3/c1-6-7(5-8(14)15)9(16)13-10(12-6)11(2,3)4/h5H2,1-4H3,(H,14,15)(H,12,13,16)
InChIKeyZYRGYYDKZHNXNX-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.00
Rot. Bonds2

About 2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid

2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 135970689) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID135970689
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C11H16N2O3/c1-6-7(5-8(14)15)9(16)13-10(12-6)11(2,3)4/h5H2,1-4H3,(H,14,15)(H,12,13,16)
InChIKeyZYRGYYDKZHNXNX-UHFFFAOYSA-N
XLogP1.00
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid (CID 135970689) is 2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid is Cc1nc(C(C)(C)C)[nH]c(=O)c1CC(=O)O.
What is the InChIKey of 2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is ZYRGYYDKZHNXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6-7(5-8(14)15)9(16)13-10(12-6)11(2,3)4/h5H2,1-4H3,(H,14,15)(H,12,13,16).
What are the key properties of 2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid?
2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 224.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 135970689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).