6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid

C14H14N2O2 — CID 62744842

IUPAC6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(CCc2ccccc2)n1
InChIInChI=1S/C14H14N2O2/c1-10-9-12(14(17)18)16-13(15-10)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,17,18)
InChIKeyZVMYOBAHCXWADT-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.27
Rot. Bonds4

About 6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid

6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid (PubChem CID 62744842) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid
PubChem CID62744842
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(CCc2ccccc2)n1
InChIInChI=1S/C14H14N2O2/c1-10-9-12(14(17)18)16-13(15-10)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,17,18)
InChIKeyZVMYOBAHCXWADT-UHFFFAOYSA-N
XLogP2.27
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid (CID 62744842) is 6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(CCc2ccccc2)n1.
What is the InChIKey of 6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid?
The InChIKey is ZVMYOBAHCXWADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-9-12(14(17)18)16-13(15-10)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,17,18).
What are the key properties of 6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid?
6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 62744842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).