2-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid

C15H16N2O4 — CID 3048040

IUPAC2-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCC(C)COc1ccccc1-c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C15H16N2O4/c1-9(2)8-21-12-6-4-3-5-10(12)13-16-7-11(15(19)20)14(18)17-13/h3-7,9H,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyYDTMUZAZQWCJGY-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.17
Rot. Bonds5

About 2-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid

2-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 3048040) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID3048040
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCC(C)COc1ccccc1-c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C15H16N2O4/c1-9(2)8-21-12-6-4-3-5-10(12)13-16-7-11(15(19)20)14(18)17-13/h3-7,9H,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyYDTMUZAZQWCJGY-UHFFFAOYSA-N
XLogP2.17
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(2-methoxybenzyl)-9-methyl-2-oxo-2H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458478
2-[3-cyano-4-(2-methylprop-2-enoxy)phenyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 155514978
2-[4-[(4-tert-butylphenyl)methoxy]-3-cyanophenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 155515363
2-[3-cyano-4-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 155515583
2-[3-cyano-4-(3-methylbutoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 155520980
2-[3-cyano-4-(3-methylbutoxy)phenyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 155526456
2-(3-cyano-4-phenylmethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 155529222
2-[3-cyano-4-(3-methylbut-2-enoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 155531751
2-(3-cyano-4-propan-2-yloxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 155536110
2-[3-cyano-4-(2-methylprop-2-enoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 155554692
2-[3-cyano-4-[(4-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 155560744
2-[3-cyano-4-[(4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 155565368

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 3048040) is 2-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is CC(C)COc1ccccc1-c1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is YDTMUZAZQWCJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9(2)8-21-12-6-4-3-5-10(12)13-16-7-11(15(19)20)14(18)17-13/h3-7,9H,8H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 3048040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).