2-[4-(2-fluoroethyl)cyclohexyl]-5-pentylpyrimidine

C17H27FN2 — CID 18344186

IUPAC2-[4-(2-fluoroethyl)cyclohexyl]-5-pentylpyrimidine
SMILESCCCCCc1cnc(C2CCC(CCF)CC2)nc1
InChIInChI=1S/C17H27FN2/c1-2-3-4-5-15-12-19-17(20-13-15)16-8-6-14(7-9-16)10-11-18/h12-14,16H,2-11H2,1H3
InChIKeyCWSZOHGJGXTVHY-UHFFFAOYSA-N
MW278.41 g/mol
LogP4.84
Rot. Bonds7

About 2-[4-(2-fluoroethyl)cyclohexyl]-5-pentylpyrimidine

2-[4-(2-fluoroethyl)cyclohexyl]-5-pentylpyrimidine (PubChem CID 18344186) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)cyclohexyl]-5-pentylpyrimidine.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)cyclohexyl]-5-pentylpyrimidine
PubChem CID18344186
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name2-[4-(2-fluoroethyl)cyclohexyl]-5-pentylpyrimidine
SMILESCCCCCc1cnc(C2CCC(CCF)CC2)nc1
InChIInChI=1S/C17H27FN2/c1-2-3-4-5-15-12-19-17(20-13-15)16-8-6-14(7-9-16)10-11-18/h12-14,16H,2-11H2,1H3
InChIKeyCWSZOHGJGXTVHY-UHFFFAOYSA-N
XLogP4.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-5-pentylpyrimidine
CID 16756526
2-Methyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine
CID 12450612
5-Cyclohexylpyrimidin-2-amine
CID 13163993
2-Chloro-5-decylpyrimidine
CID 22099083
4-(4,4-Difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine
CID 50982072
5-Butylpyrimidine
CID 18952838
2-Chloro-5-(cyclohexyl)pyrimidine
CID 66520029
5-Heptyl-2-methylpyrimidine
CID 13660600
3-cyclopentyl-N-[(2-ethylpyrimidin-5-yl)methyl]-N-methylpropan-1-amine
CID 129613098
N,4-dimethyl-N-[(2-methylpyrimidin-5-yl)methyl]cyclohexan-1-amine
CID 137957804
2-[(2-Tert-butylpyrimidin-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 11243830
2-[4-(2-Fluoroethyl)cyclohexyl]-5-methylpyrimidine
CID 18344182

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)cyclohexyl]-5-pentylpyrimidine?
The IUPAC name of 2-[4-(2-fluoroethyl)cyclohexyl]-5-pentylpyrimidine (CID 18344186) is 2-[4-(2-fluoroethyl)cyclohexyl]-5-pentylpyrimidine.
What is the SMILES notation for 2-[4-(2-fluoroethyl)cyclohexyl]-5-pentylpyrimidine?
The canonical SMILES for 2-[4-(2-fluoroethyl)cyclohexyl]-5-pentylpyrimidine is CCCCCc1cnc(C2CCC(CCF)CC2)nc1.
What is the InChIKey of 2-[4-(2-fluoroethyl)cyclohexyl]-5-pentylpyrimidine?
The InChIKey is CWSZOHGJGXTVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-2-3-4-5-15-12-19-17(20-13-15)16-8-6-14(7-9-16)10-11-18/h12-14,16H,2-11H2,1H3.
What are the key properties of 2-[4-(2-fluoroethyl)cyclohexyl]-5-pentylpyrimidine?
2-[4-(2-fluoroethyl)cyclohexyl]-5-pentylpyrimidine has a molecular weight of 278.41 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethyl)cyclohexyl]-5-pentylpyrimidine is sourced from PubChem (CID 18344186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).