5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine

C16H19FN2 — CID 19008485

IUPAC5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine
SMILESCCCc1ccc(-c2cnc(CCC)nc2)c(F)c1
InChIInChI=1S/C16H19FN2/c1-3-5-12-7-8-14(15(17)9-12)13-10-18-16(6-4-2)19-11-13/h7-11H,3-6H2,1-2H3
InChIKeyXUQRRZQBCRYYIG-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.19
Rot. Bonds5

About 5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine

5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine (PubChem CID 19008485) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine.

Molecular Properties

Compound Name5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine
PubChem CID19008485
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine
SMILESCCCc1ccc(-c2cnc(CCC)nc2)c(F)c1
InChIInChI=1S/C16H19FN2/c1-3-5-12-7-8-14(15(17)9-12)13-10-18-16(6-4-2)19-11-13/h7-11H,3-6H2,1-2H3
InChIKeyXUQRRZQBCRYYIG-UHFFFAOYSA-N
XLogP4.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoro-4-propylphenyl)phenol
CID 139457311
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-5-(2-fluoro-4-propylphenyl)pyrimidine
CID 59247662
2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine
CID 19859704
2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine
CID 19765344
5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine
CID 19765754
2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine
CID 19858622
1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene
CID 18513410
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-heptylpyridine
CID 19859113
5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine
CID 19008051
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene
CID 141308047

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine?
The IUPAC name of 5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine (CID 19008485) is 5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine.
What is the SMILES notation for 5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine?
The canonical SMILES for 5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine is CCCc1ccc(-c2cnc(CCC)nc2)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine?
The InChIKey is XUQRRZQBCRYYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-5-12-7-8-14(15(17)9-12)13-10-18-16(6-4-2)19-11-13/h7-11H,3-6H2,1-2H3.
What are the key properties of 5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine?
5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine has a molecular weight of 258.34 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine is sourced from PubChem (CID 19008485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).