2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid

C15H15FN2O2 — CID 162674489

IUPAC2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid
SMILESCC(C)Cc1nc(-c2cccc(F)c2)ncc1C(=O)O
InChIInChI=1S/C15H15FN2O2/c1-9(2)6-13-12(15(19)20)8-17-14(18-13)10-4-3-5-11(16)7-10/h3-5,7-9H,6H2,1-2H3,(H,19,20)
InChIKeyVBYIIIANTGJJES-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.18
Rot. Bonds4

About 2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid

2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid (PubChem CID 162674489) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid
PubChem CID162674489
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid
SMILESCC(C)Cc1nc(-c2cccc(F)c2)ncc1C(=O)O
InChIInChI=1S/C15H15FN2O2/c1-9(2)6-13-12(15(19)20)8-17-14(18-13)10-4-3-5-11(16)7-10/h3-5,7-9H,6H2,1-2H3,(H,19,20)
InChIKeyVBYIIIANTGJJES-UHFFFAOYSA-N
XLogP3.18
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid (CID 162674489) is 2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid is CC(C)Cc1nc(-c2cccc(F)c2)ncc1C(=O)O.
What is the InChIKey of 2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid?
The InChIKey is VBYIIIANTGJJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9(2)6-13-12(15(19)20)8-17-14(18-13)10-4-3-5-11(16)7-10/h3-5,7-9H,6H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid?
2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 162674489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).