4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid

C18H13FN2O2 — CID 70375413

IUPAC4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ccccc2)nc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C18H13FN2O2/c1-11-15(18(22)23)16(12-7-9-14(19)10-8-12)21-17(20-11)13-5-3-2-4-6-13/h2-10H,1H3,(H,22,23)
InChIKeyOEUKQZYQDPGCGO-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.96
Rot. Bonds3

About 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid

4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid (PubChem CID 70375413) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid
PubChem CID70375413
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ccccc2)nc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C18H13FN2O2/c1-11-15(18(22)23)16(12-7-9-14(19)10-8-12)21-17(20-11)13-5-3-2-4-6-13/h2-10H,1H3,(H,22,23)
InChIKeyOEUKQZYQDPGCGO-UHFFFAOYSA-N
XLogP3.96
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid (CID 70375413) is 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid is Cc1nc(-c2ccccc2)nc(-c2ccc(F)cc2)c1C(=O)O.
What is the InChIKey of 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid?
The InChIKey is OEUKQZYQDPGCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2/c1-11-15(18(22)23)16(12-7-9-14(19)10-8-12)21-17(20-11)13-5-3-2-4-6-13/h2-10H,1H3,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid?
4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid has a molecular weight of 308.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 70375413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).