6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid

C16H12N2O3 — CID 135433531

IUPAC6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid
SMILESCc1cc(=O)[nH]c(-c2ccc3cc(C(=O)O)ccc3c2)n1
InChIInChI=1S/C16H12N2O3/c1-9-6-14(19)18-15(17-9)12-4-2-11-8-13(16(20)21)5-3-10(11)7-12/h2-8H,1H3,(H,20,21)(H,17,18,19)
InChIKeyDBDHKRARBVNJEO-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.60
Rot. Bonds2

About 6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid

6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid (PubChem CID 135433531) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid
PubChem CID135433531
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid
SMILESCc1cc(=O)[nH]c(-c2ccc3cc(C(=O)O)ccc3c2)n1
InChIInChI=1S/C16H12N2O3/c1-9-6-14(19)18-15(17-9)12-4-2-11-8-13(16(20)21)5-3-10(11)7-12/h2-8H,1H3,(H,20,21)(H,17,18,19)
InChIKeyDBDHKRARBVNJEO-UHFFFAOYSA-N
XLogP2.60
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid?
The IUPAC name of 6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid (CID 135433531) is 6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid is Cc1cc(=O)[nH]c(-c2ccc3cc(C(=O)O)ccc3c2)n1.
What is the InChIKey of 6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid?
The InChIKey is DBDHKRARBVNJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-9-6-14(19)18-15(17-9)12-4-2-11-8-13(16(20)21)5-3-10(11)7-12/h2-8H,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid?
6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 135433531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).