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

C9H12N2O3 — CID 83852050

IUPAC2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid
SMILESCC(C)c1cc(CC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C9H12N2O3/c1-5(2)7-3-6(4-8(12)13)10-9(14)11-7/h3,5H,4H2,1-2H3,(H,12,13)(H,10,11,14)
InChIKeyKDBPQYNWIWHLTI-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.52
Rot. Bonds3

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

2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid (PubChem CID 83852050) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid
PubChem CID83852050
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid
SMILESCC(C)c1cc(CC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C9H12N2O3/c1-5(2)7-3-6(4-8(12)13)10-9(14)11-7/h3,5H,4H2,1-2H3,(H,12,13)(H,10,11,14)
InChIKeyKDBPQYNWIWHLTI-UHFFFAOYSA-N
XLogP0.52
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-6-isobutylpyrimidine-4-carboxylic acid
CID 6484120
2-(8-fluoro-2-oxo-3H-quinazolin-4-yl)propanoic acid
CID 105497440
2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)propanoic acid
CID 105497442
2-(6-fluoro-2-oxo-3H-quinazolin-4-yl)propanoic acid
CID 105497444
6-Tert-butyl-2-hydroxy-pyrimidine-4-carboxylic acid
CID 25801801
2-(2-oxo-3H-quinazolin-4-yl)acetic acid
CID 54517804
(2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 67469247
3-Oxo-4-aza-2-azoniabicyclo[3.3.1]nona-1,5(9),7-triene-6-carboxylic acid
CID 123412717
6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate
CID 7219734
6-Isopropyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid
CID 16876432
6-ethyl-2-oxo-1H-pyrimidine-4-carboxylic acid
CID 33695345
6-Cyclopropyl-2-hydroxypyrimidine-4-carboxylic acid
CID 39237230

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid (CID 83852050) is 2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid is CC(C)c1cc(CC(=O)O)[nH]c(=O)n1.
What is the InChIKey of 2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid?
The InChIKey is KDBPQYNWIWHLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5(2)7-3-6(4-8(12)13)10-9(14)11-7/h3,5H,4H2,1-2H3,(H,12,13)(H,10,11,14).
What are the key properties of 2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid?
2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 83852050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).