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

C10H14N2O3 — CID 84677645

IUPAC2-(6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESCC(C)(C)c1[nH]c(=O)ncc1CC(=O)O
InChIInChI=1S/C10H14N2O3/c1-10(2,3)8-6(4-7(13)14)5-11-9(15)12-8/h5H,4H2,1-3H3,(H,13,14)(H,11,12,15)
InChIKeyALSXUKFWQPFLEQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.69
Rot. Bonds2

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

2-(6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 84677645) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID84677645
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESCC(C)(C)c1[nH]c(=O)ncc1CC(=O)O
InChIInChI=1S/C10H14N2O3/c1-10(2,3)8-6(4-7(13)14)5-11-9(15)12-8/h5H,4H2,1-3H3,(H,13,14)(H,11,12,15)
InChIKeyALSXUKFWQPFLEQ-UHFFFAOYSA-N
XLogP0.69
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 21807114
5-methyl-2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid
CID 81346641
6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid
CID 81346730
2-(5-methyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 82413431
2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 83816035
3-(6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84658325
2-(6-ethyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84668331
2-(6-propan-2-yl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84679167
2-(6-tert-butyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84690562
methyl 2-(6-methyl-2-oxo-1H-pyrimidin-5-yl)acetate
CID 131014360

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (CID 84677645) is 2-(6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is CC(C)(C)c1[nH]c(=O)ncc1CC(=O)O.
What is the InChIKey of 2-(6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is ALSXUKFWQPFLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,3)8-6(4-7(13)14)5-11-9(15)12-8/h5H,4H2,1-3H3,(H,13,14)(H,11,12,15).
What are the key properties of 2-(6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
2-(6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 84677645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).