2-fluoro-5-(4-pentylcyclohexyl)pyrimidine

C15H23FN2 — CID 66584675

IUPAC2-fluoro-5-(4-pentylcyclohexyl)pyrimidine
SMILESCCCCCC1CCC(c2cnc(F)nc2)CC1
InChIInChI=1S/C15H23FN2/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-17-15(16)18-11-14/h10-13H,2-9H2,1H3
InChIKeyDTAIUDCLMVWXSL-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.47
Rot. Bonds5

About 2-fluoro-5-(4-pentylcyclohexyl)pyrimidine

2-fluoro-5-(4-pentylcyclohexyl)pyrimidine (PubChem CID 66584675) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-fluoro-5-(4-pentylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name2-fluoro-5-(4-pentylcyclohexyl)pyrimidine
PubChem CID66584675
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-fluoro-5-(4-pentylcyclohexyl)pyrimidine
SMILESCCCCCC1CCC(c2cnc(F)nc2)CC1
InChIInChI=1S/C15H23FN2/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-17-15(16)18-11-14/h10-13H,2-9H2,1H3
InChIKeyDTAIUDCLMVWXSL-UHFFFAOYSA-N
XLogP4.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.47
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-propylpyrimidine
CID 2735784
2-Chloro-5-pentylpyrimidine
CID 16756526
5-Cyclohexylpyrimidin-2-amine
CID 13163993
2-Chloro-5-decylpyrimidine
CID 22099083
5-Butyl-2-pyrimidinamine
CID 45071698
5-Butylpyrimidine
CID 18952838
2-Chloro-5-(cyclohexyl)pyrimidine
CID 66520029
2,4-Dichloro-5-cyclohexylpyrimidine
CID 117260859
2-Azido-5-n-butylpyrimidin
CID 23278869
5-Heptyl-2-methylpyrimidine
CID 13660600
5-Propylpyrimidine
CID 22182378
5-Butyl-2-chloropyrimidine
CID 40424810

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(4-pentylcyclohexyl)pyrimidine?
The IUPAC name of 2-fluoro-5-(4-pentylcyclohexyl)pyrimidine (CID 66584675) is 2-fluoro-5-(4-pentylcyclohexyl)pyrimidine.
What is the SMILES notation for 2-fluoro-5-(4-pentylcyclohexyl)pyrimidine?
The canonical SMILES for 2-fluoro-5-(4-pentylcyclohexyl)pyrimidine is CCCCCC1CCC(c2cnc(F)nc2)CC1.
What is the InChIKey of 2-fluoro-5-(4-pentylcyclohexyl)pyrimidine?
The InChIKey is DTAIUDCLMVWXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-17-15(16)18-11-14/h10-13H,2-9H2,1H3.
What are the key properties of 2-fluoro-5-(4-pentylcyclohexyl)pyrimidine?
2-fluoro-5-(4-pentylcyclohexyl)pyrimidine has a molecular weight of 250.36 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(4-pentylcyclohexyl)pyrimidine is sourced from PubChem (CID 66584675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).