5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine

C25H35FN2 — CID 70403730

IUPAC5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
SMILESCCCCc1cnc(-c2ccc(CCC3CCC(CCC)CC3)cc2F)nc1
InChIInChI=1S/C25H35FN2/c1-3-5-7-22-17-27-25(28-18-22)23-15-14-21(16-24(23)26)13-12-20-10-8-19(6-4-2)9-11-20/h14-20H,3-13H2,1-2H3
InChIKeyBTNXCSVYVNXLNW-UHFFFAOYSA-N
MW382.57 g/mol
LogP7.16
Rot. Bonds9

About 5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine

5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine (PubChem CID 70403730) has the molecular formula C25H35FN2 and a molecular weight of 382.57 g/mol. Its IUPAC name is 5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
PubChem CID70403730
Molecular FormulaC25H35FN2
Molecular Weight382.57 g/mol
Exact Mass382.28
IUPAC Name5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
SMILESCCCCc1cnc(-c2ccc(CCC3CCC(CCC)CC3)cc2F)nc1
InChIInChI=1S/C25H35FN2/c1-3-5-7-22-17-27-25(28-18-22)23-15-14-21(16-24(23)26)13-12-20-10-8-19(6-4-2)9-11-20/h14-20H,3-13H2,1-2H3
InChIKeyBTNXCSVYVNXLNW-UHFFFAOYSA-N
XLogP7.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-2-[4-[2-(4-ethylcyclohexyl)ethyl]-2-fluorophenyl]pyridine
CID 18638393
2-(2-methyl-4-pentylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyrimidine
CID 54549781
2-[2-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-pentylpyridine
CID 57072579
5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839743
3-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-6-hexylpyridazine
CID 139778933
2-[4-(4-butyl-2-fluorophenyl)phenyl]-5-heptylpyrimidine
CID 21270877
3-butyl-6-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyridazine
CID 139779122
2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
CID 54061362
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54097147
1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 151687811
2-[4-(2-fluoro-4-heptylphenyl)phenyl]-5-hexylpyrimidine
CID 21270896
3-[2-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-6-pentylpyridazine
CID 67787858

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine?
The IUPAC name of 5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine (CID 70403730) is 5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine.
What is the SMILES notation for 5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine?
The canonical SMILES for 5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine is CCCCc1cnc(-c2ccc(CCC3CCC(CCC)CC3)cc2F)nc1.
What is the InChIKey of 5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine?
The InChIKey is BTNXCSVYVNXLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN2/c1-3-5-7-22-17-27-25(28-18-22)23-15-14-21(16-24(23)26)13-12-20-10-8-19(6-4-2)9-11-20/h14-20H,3-13H2,1-2H3.
What are the key properties of 5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine?
5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine has a molecular weight of 382.57 g/mol, XLogP of 7.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine is sourced from PubChem (CID 70403730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).