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

C10H14N2O3 — CID 83852235

IUPAC2-(4-tert-butyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
SMILESCC(C)(C)c1cc(CC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)7-4-6(5-8(13)14)11-9(15)12-7/h4H,5H2,1-3H3,(H,13,14)(H,11,12,15)
InChIKeyTXGBMGIWFMCEKS-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.69
Rot. Bonds2

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

2-(4-tert-butyl-2-oxo-1H-pyrimidin-6-yl)acetic acid (PubChem CID 83852235) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-oxo-1H-pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(4-tert-butyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
PubChem CID83852235
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(4-tert-butyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
SMILESCC(C)(C)c1cc(CC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)7-4-6(5-8(13)14)11-9(15)12-7/h4H,5H2,1-3H3,(H,13,14)(H,11,12,15)
InChIKeyTXGBMGIWFMCEKS-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

2-Hydroxy-6-isobutylpyrimidine-4-carboxylic acid
CID 6484120
6-Tert-butyl-2-hydroxy-pyrimidine-4-carboxylic acid
CID 25801801
2-(2-oxo-3H-quinazolin-4-yl)acetic acid
CID 54517804
6-Isopropyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid
CID 16876432
6-ethyl-2-oxo-1H-pyrimidine-4-carboxylic acid
CID 33695345
6-Isobutyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid hydrochloride
CID 71308010
6-Isobutyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid hydrate
CID 75530618
6-butan-2-yl-2-oxo-1H-pyrimidine-4-carboxylic acid
CID 81345800
2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid
CID 82637017
2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851905
2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83852014
2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid
CID 83852050

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(4-tert-butyl-2-oxo-1H-pyrimidin-6-yl)acetic acid (CID 83852235) is 2-(4-tert-butyl-2-oxo-1H-pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(4-tert-butyl-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(4-tert-butyl-2-oxo-1H-pyrimidin-6-yl)acetic acid is CC(C)(C)c1cc(CC(=O)O)[nH]c(=O)n1.
What is the InChIKey of 2-(4-tert-butyl-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The InChIKey is TXGBMGIWFMCEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,3)7-4-6(5-8(13)14)11-9(15)12-7/h4H,5H2,1-3H3,(H,13,14)(H,11,12,15).
What are the key properties of 2-(4-tert-butyl-2-oxo-1H-pyrimidin-6-yl)acetic acid?
2-(4-tert-butyl-2-oxo-1H-pyrimidin-6-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-(4-tert-butyl-2-oxo-1H-pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 83852235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).