2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine

C14H15FN2 — CID 58946430

IUPAC2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine
SMILESCc1cnc(-c2ccc(C(C)C)cc2F)nc1
InChIInChI=1S/C14H15FN2/c1-9(2)11-4-5-12(13(15)6-11)14-16-7-10(3)8-17-14/h4-9H,1-3H3
InChIKeyFHLBRSKPHLITDV-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.71
Rot. Bonds2

About 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine

2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine (PubChem CID 58946430) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine
PubChem CID58946430
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine
SMILESCc1cnc(-c2ccc(C(C)C)cc2F)nc1
InChIInChI=1S/C14H15FN2/c1-9(2)11-4-5-12(13(15)6-11)14-16-7-10(3)8-17-14/h4-9H,1-3H3
InChIKeyFHLBRSKPHLITDV-UHFFFAOYSA-N
XLogP3.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine?
The IUPAC name of 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine (CID 58946430) is 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine.
What is the SMILES notation for 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine?
The canonical SMILES for 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine is Cc1cnc(-c2ccc(C(C)C)cc2F)nc1.
What is the InChIKey of 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine?
The InChIKey is FHLBRSKPHLITDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-9(2)11-4-5-12(13(15)6-11)14-16-7-10(3)8-17-14/h4-9H,1-3H3.
What are the key properties of 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine?
2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine has a molecular weight of 230.29 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine is sourced from PubChem (CID 58946430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).