2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid

C14H13FN2O2 — CID 62746115

IUPAC2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(Cc2cccc(F)c2)nc(C)c1C(=O)O
InChIInChI=1S/C14H13FN2O2/c1-8-13(14(18)19)9(2)17-12(16-8)7-10-4-3-5-11(15)6-10/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyQXGKMQKSKCJKAI-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.52
Rot. Bonds3

About 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid

2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid (PubChem CID 62746115) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid
PubChem CID62746115
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(Cc2cccc(F)c2)nc(C)c1C(=O)O
InChIInChI=1S/C14H13FN2O2/c1-8-13(14(18)19)9(2)17-12(16-8)7-10-4-3-5-11(15)6-10/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyQXGKMQKSKCJKAI-UHFFFAOYSA-N
XLogP2.52
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid (CID 62746115) is 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid is Cc1nc(Cc2cccc(F)c2)nc(C)c1C(=O)O.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid?
The InChIKey is QXGKMQKSKCJKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-13(14(18)19)9(2)17-12(16-8)7-10-4-3-5-11(15)6-10/h3-6H,7H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid?
2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 62746115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).