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

C19H29FN2 — CID 18344198

IUPAC2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methylpyrimidine
SMILESCc1cnc(C2CCC(C3CCC(CCF)CC3)CC2)nc1
InChIInChI=1S/C19H29FN2/c1-14-12-21-19(22-13-14)18-8-6-17(7-9-18)16-4-2-15(3-5-16)10-11-20/h12-13,15-18H,2-11H2,1H3
InChIKeyBYYNOWDFKIPZBH-UHFFFAOYSA-N
MW304.45 g/mol
LogP5.22
Rot. Bonds4

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

2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methylpyrimidine (PubChem CID 18344198) has the molecular formula C19H29FN2 and a molecular weight of 304.45 g/mol. Its IUPAC name is 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methylpyrimidine
PubChem CID18344198
Molecular FormulaC19H29FN2
Molecular Weight304.45 g/mol
Exact Mass304.23
IUPAC Name2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methylpyrimidine
SMILESCc1cnc(C2CCC(C3CCC(CCF)CC3)CC2)nc1
InChIInChI=1S/C19H29FN2/c1-14-12-21-19(22-13-14)18-8-6-17(7-9-18)16-4-2-15(3-5-16)10-11-20/h12-13,15-18H,2-11H2,1H3
InChIKeyBYYNOWDFKIPZBH-UHFFFAOYSA-N
XLogP5.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.45
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-Cyclohexyl-butyl)-piperazin-1-yl]-5-fluoro-pyrimidine
CID 15729908
(3S*,4R*)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]-4-isopropyl-N,N-dimethylpyrrolidin-3-amine
CID 72898877
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
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-propylpyrimidine
CID 18344201
4-[5-(4-Butylcyclohexyl)pyrimidin-2-yl]cyclohexane-1-carbonitrile
CID 19380348
trans-5-(4-Pentylcyclohexyl)-2-pyrimidinecarbonitrile
CID 19380481

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methylpyrimidine?
The IUPAC name of 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methylpyrimidine (CID 18344198) is 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methylpyrimidine.
What is the SMILES notation for 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methylpyrimidine?
The canonical SMILES for 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methylpyrimidine is Cc1cnc(C2CCC(C3CCC(CCF)CC3)CC2)nc1.
What is the InChIKey of 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methylpyrimidine?
The InChIKey is BYYNOWDFKIPZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2/c1-14-12-21-19(22-13-14)18-8-6-17(7-9-18)16-4-2-15(3-5-16)10-11-20/h12-13,15-18H,2-11H2,1H3.
What are the key properties of 2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methylpyrimidine?
2-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-5-methylpyrimidine has a molecular weight of 304.45 g/mol, XLogP of 5.22, 4 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-methylpyrimidine is sourced from PubChem (CID 18344198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).