4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid

C17H14N2O2 — CID 62745589

IUPAC4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ccc3ccccc3c2)nc(C)c1C(=O)O
InChIInChI=1S/C17H14N2O2/c1-10-15(17(20)21)11(2)19-16(18-10)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,20,21)
InChIKeyLIDOAARHSNNXNG-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.61
Rot. Bonds2

About 4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid

4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid (PubChem CID 62745589) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid
PubChem CID62745589
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ccc3ccccc3c2)nc(C)c1C(=O)O
InChIInChI=1S/C17H14N2O2/c1-10-15(17(20)21)11(2)19-16(18-10)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,20,21)
InChIKeyLIDOAARHSNNXNG-UHFFFAOYSA-N
XLogP3.61
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Tert-butylphenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 98024860
4-(4-Fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylic acid
CID 21624841
4-(4-Fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid
CID 23049985
4,6-Dimethyl-2-(3-trifluoromethyl-phenyl)-pyrimidine-5-carboxylic acid
CID 62744716
4-Cyclopropyl-6-methyl-2-(3-trifluoromethyl-phenyl)-pyrimidine-5-carboxylic acid
CID 66901575
4-Ethyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 69279305
(2E)-2-[[4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]methylidene]butanoic acid
CID 70365754
4-(4-Fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid
CID 70375413
2-[3,5-Bis(trifluoromethyl)phenyl]-4,6-dimethylpyrimidine-5-carboxylic acid
CID 87197511
2-Methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 130288781
2-Methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 130288782
2-Methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 130289068

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid (CID 62745589) is 4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid is Cc1nc(-c2ccc3ccccc3c2)nc(C)c1C(=O)O.
What is the InChIKey of 4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is LIDOAARHSNNXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-10-15(17(20)21)11(2)19-16(18-10)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,20,21).
What are the key properties of 4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid?
4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 62745589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).