2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid

C8H10N2O3 — CID 16876432

IUPAC2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)nc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-4(2)5-3-6(7(11)12)10-8(13)9-5/h3-4H,1-2H3,(H,11,12)(H,9,10,13)
InChIKeyIBNOXNVZEQCGHI-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.59
Rot. Bonds2

About 2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid

2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid (PubChem CID 16876432) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid
PubChem CID16876432
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)nc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-4(2)5-3-6(7(11)12)10-8(13)9-5/h3-4H,1-2H3,(H,11,12)(H,9,10,13)
InChIKeyIBNOXNVZEQCGHI-UHFFFAOYSA-N
XLogP0.59
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid (CID 16876432) is 2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid is CC(C)c1cc(C(=O)O)nc(=O)[nH]1.
What is the InChIKey of 2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid?
The InChIKey is IBNOXNVZEQCGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4(2)5-3-6(7(11)12)10-8(13)9-5/h3-4H,1-2H3,(H,11,12)(H,9,10,13).
What are the key properties of 2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid?
2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 16876432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).