5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine

C14H14BrFN2 — CID 114205677

IUPAC5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine
SMILESCCCc1nc(-c2ccc(F)cc2)ncc1CBr
InChIInChI=1S/C14H14BrFN2/c1-2-3-13-11(8-15)9-17-14(18-13)10-4-6-12(16)7-5-10/h4-7,9H,2-3,8H2,1H3
InChIKeyWVXISSVHPHQLEI-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.13
Rot. Bonds4

About 5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine

5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine (PubChem CID 114205677) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine
PubChem CID114205677
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine
SMILESCCCc1nc(-c2ccc(F)cc2)ncc1CBr
InChIInChI=1S/C14H14BrFN2/c1-2-3-13-11(8-15)9-17-14(18-13)10-4-6-12(16)7-5-10/h4-7,9H,2-3,8H2,1H3
InChIKeyWVXISSVHPHQLEI-UHFFFAOYSA-N
XLogP4.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-2-(4-methylphenyl)-4-propylpyrimidine
CID 114205688
4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine
CID 117212241
2-(4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742681
2-(3-fluorophenyl)-4-propylpyrimidin-5-amine
CID 114207096
5-cyclopropyl-2-(4-fluorophenyl)-4-(iodomethyl)pyrimidine
CID 168968727
6-(4-fluorophenyl)-4-propylpyrido[3,2-d]pyrimidine
CID 24964228
2-[2-(4-fluorophenyl)phenyl]-5-propylpyrimidine
CID 22131626
3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole
CID 162444169
4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole
CID 66436383
5-(bromomethyl)-2-(4-chlorophenyl)-4-(trifluoromethyl)pyrimidine
CID 114205628
2-(4-fluorophenyl)-5-(4-hexylphenyl)pyrimidine
CID 22089512
5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine
CID 66298635

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine?
The IUPAC name of 5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine (CID 114205677) is 5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine.
What is the SMILES notation for 5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine?
The canonical SMILES for 5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine is CCCc1nc(-c2ccc(F)cc2)ncc1CBr.
What is the InChIKey of 5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine?
The InChIKey is WVXISSVHPHQLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-2-3-13-11(8-15)9-17-14(18-13)10-4-6-12(16)7-5-10/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine?
5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine has a molecular weight of 309.18 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine is sourced from PubChem (CID 114205677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).