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

C13H19FN2 — CID 18344182

IUPAC2-[4-(2-fluoroethyl)cyclohexyl]-5-methylpyrimidine
SMILESCc1cnc(C2CCC(CCF)CC2)nc1
InChIInChI=1S/C13H19FN2/c1-10-8-15-13(16-9-10)12-4-2-11(3-5-12)6-7-14/h8-9,11-12H,2-7H2,1H3
InChIKeyAWCIVDOXWQXORX-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.42
Rot. Bonds3

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

2-[4-(2-fluoroethyl)cyclohexyl]-5-methylpyrimidine (PubChem CID 18344182) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)cyclohexyl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)cyclohexyl]-5-methylpyrimidine
PubChem CID18344182
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-[4-(2-fluoroethyl)cyclohexyl]-5-methylpyrimidine
SMILESCc1cnc(C2CCC(CCF)CC2)nc1
InChIInChI=1S/C13H19FN2/c1-10-8-15-13(16-9-10)12-4-2-11(3-5-12)6-7-14/h8-9,11-12H,2-7H2,1H3
InChIKeyAWCIVDOXWQXORX-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S*,4R*)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]-4-isopropyl-N,N-dimethylpyrrolidin-3-amine
CID 72898877
5-Heptyl-2-methylpyrimidine
CID 13660600
Pyrimidinylcyclohexane
CID 17937609
5-Methyl-2-octylpyrimidine
CID 130279604
3-cyclopentyl-N-[(2-ethylpyrimidin-5-yl)methyl]-N-methylpropan-1-amine
CID 129613098
(Cyclopentylmethyl)[(2-isopropylpyrimidin-5-yl)methyl]methylamine
CID 131927079
1-(2-ethylpyrimidin-5-yl)-N-[(1-isobutylcyclobutyl)methyl]methanamine
CID 131943367
N,4-dimethyl-N-[(2-methylpyrimidin-5-yl)methyl]cyclohexan-1-amine
CID 137957804
trans-(1S,2S)-2-fluoro-N-[(2-methylpyrimidin-5-yl)methyl]cyclohexan-1-amine
CID 164639629
2-[4-(2-Fluoroethyl)cyclohexyl]-5-pentylpyrimidine
CID 18344186
2-[4-[4-(2-Fluoroethyl)cyclohexyl]cyclohexyl]-5-methylpyrimidine
CID 18344198
2-[4-[4-(2-Fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine
CID 18344201

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)cyclohexyl]-5-methylpyrimidine?
The IUPAC name of 2-[4-(2-fluoroethyl)cyclohexyl]-5-methylpyrimidine (CID 18344182) is 2-[4-(2-fluoroethyl)cyclohexyl]-5-methylpyrimidine.
What is the SMILES notation for 2-[4-(2-fluoroethyl)cyclohexyl]-5-methylpyrimidine?
The canonical SMILES for 2-[4-(2-fluoroethyl)cyclohexyl]-5-methylpyrimidine is Cc1cnc(C2CCC(CCF)CC2)nc1.
What is the InChIKey of 2-[4-(2-fluoroethyl)cyclohexyl]-5-methylpyrimidine?
The InChIKey is AWCIVDOXWQXORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-8-15-13(16-9-10)12-4-2-11(3-5-12)6-7-14/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 2-[4-(2-fluoroethyl)cyclohexyl]-5-methylpyrimidine?
2-[4-(2-fluoroethyl)cyclohexyl]-5-methylpyrimidine has a molecular weight of 222.31 g/mol, XLogP of 3.42, 3 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-methylpyrimidine is sourced from PubChem (CID 18344182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).