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

C21H33FN2 — CID 18344201

IUPAC2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine
SMILESCCCc1cnc(C2CCC(C3CCC(CCF)CC3)CC2)nc1
InChIInChI=1S/C21H33FN2/c1-2-3-17-14-23-21(24-15-17)20-10-8-19(9-11-20)18-6-4-16(5-7-18)12-13-22/h14-16,18-20H,2-13H2,1H3
InChIKeyNWINTUMBIJRONA-UHFFFAOYSA-N
MW332.51 g/mol
LogP5.87
Rot. Bonds6

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

2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine (PubChem CID 18344201) has the molecular formula C21H33FN2 and a molecular weight of 332.51 g/mol. Its IUPAC name is 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine.

Molecular Properties

Compound Name2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine
PubChem CID18344201
Molecular FormulaC21H33FN2
Molecular Weight332.51 g/mol
Exact Mass332.26
IUPAC Name2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine
SMILESCCCc1cnc(C2CCC(C3CCC(CCF)CC3)CC2)nc1
InChIInChI=1S/C21H33FN2/c1-2-3-17-14-23-21(24-15-17)20-10-8-19(9-11-20)18-6-4-16(5-7-18)12-13-22/h14-16,18-20H,2-13H2,1H3
InChIKeyNWINTUMBIJRONA-UHFFFAOYSA-N
XLogP5.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.51
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Cyclohexylpyrimidin-2-amine
CID 13163993
2-Chloro-5-(cyclohexyl)pyrimidine
CID 66520029
5-Heptyl-2-methylpyrimidine
CID 13660600
5-(1-Adamantyl) pyrimidine
CID 85774557
2-[4-(2-Fluoroethyl)cyclohexyl]-5-methylpyrimidine
CID 18344182
2-[4-(2-Fluoroethyl)cyclohexyl]-5-pentylpyrimidine
CID 18344186
2-[4-[4-(2-Fluoroethyl)cyclohexyl]cyclohexyl]-5-methylpyrimidine
CID 18344198
4-[5-(4-Butylcyclohexyl)pyrimidin-2-yl]cyclohexane-1-carbonitrile
CID 19380348
trans-5-(4-Pentylcyclohexyl)-2-pyrimidinecarbonitrile
CID 19380481
5-(4-Butylcyclohexyl)pyrimidine-2-carbonitrile
CID 19380532
2-Ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine
CID 19763102
5-[4-(4-Propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine
CID 21747371

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine?
The IUPAC name of 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine (CID 18344201) is 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine.
What is the SMILES notation for 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine?
The canonical SMILES for 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine is CCCc1cnc(C2CCC(C3CCC(CCF)CC3)CC2)nc1.
What is the InChIKey of 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine?
The InChIKey is NWINTUMBIJRONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN2/c1-2-3-17-14-23-21(24-15-17)20-10-8-19(9-11-20)18-6-4-16(5-7-18)12-13-22/h14-16,18-20H,2-13H2,1H3.
What are the key properties of 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine?
2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine has a molecular weight of 332.51 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine is sourced from PubChem (CID 18344201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).