5-butyl-2-cyclohexylpyrimidine

C14H22N2 — CID 154503798

IUPAC5-butyl-2-cyclohexylpyrimidine
SMILESCCCCc1cnc(C2CCCCC2)nc1
InChIInChI=1S/C14H22N2/c1-2-3-7-12-10-15-14(16-11-12)13-8-5-4-6-9-13/h10-11,13H,2-9H2,1H3
InChIKeyFJDQERGOZCJDOS-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.87
Rot. Bonds4

About 5-butyl-2-cyclohexylpyrimidine

5-butyl-2-cyclohexylpyrimidine (PubChem CID 154503798) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-butyl-2-cyclohexylpyrimidine.

Molecular Properties

Compound Name5-butyl-2-cyclohexylpyrimidine
PubChem CID154503798
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-butyl-2-cyclohexylpyrimidine
SMILESCCCCc1cnc(C2CCCCC2)nc1
InChIInChI=1S/C14H22N2/c1-2-3-7-12-10-15-14(16-11-12)13-8-5-4-6-9-13/h10-11,13H,2-9H2,1H3
InChIKeyFJDQERGOZCJDOS-UHFFFAOYSA-N
XLogP3.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-5-propylpyrimidine
CID 57193046
5-(chloromethyl)-2-cyclohexylpyrimidine
CID 62755900
(2-cyclooctylpyrimidin-5-yl)methanamine
CID 80610612
2-[4-[(4-decylphenoxy)methyl]cyclohexyl]-5-heptylpyrimidine
CID 21288626
5-decyl-2-[4-[(4-pentylphenoxy)methyl]cyclohexyl]pyrimidine
CID 21288797
5-dodecyl-2-[4-[(4-hexylphenoxy)methyl]cyclohexyl]pyrimidine
CID 70402731
2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine
CID 19839626
5-pentyl-2-[4-[(4-propylphenoxy)methyl]cyclohexyl]pyrimidine
CID 21288641
2-(2-cyclopropylpyrimidin-5-yl)ethanamine
CID 62757903
5-pentyl-2-[4-[[5-pentyl-2-[4-pentyl-2-[[4-(5-pentylpyrimidin-2-yl)cyclohexyl]methyl]phenoxy]phenyl]methyl]cyclohexyl]pyrimidine
CID 70402220
5-nonyl-2-[4-[[2-[2-[[4-(5-nonylpyrimidin-2-yl)cyclohexyl]methyl]-4-pentylphenoxy]-5-pentylphenyl]methyl]cyclohexyl]pyrimidine
CID 88638227
2-cyclopentylpyrimidin-5-ol
CID 20542594

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-cyclohexylpyrimidine?
The IUPAC name of 5-butyl-2-cyclohexylpyrimidine (CID 154503798) is 5-butyl-2-cyclohexylpyrimidine.
What is the SMILES notation for 5-butyl-2-cyclohexylpyrimidine?
The canonical SMILES for 5-butyl-2-cyclohexylpyrimidine is CCCCc1cnc(C2CCCCC2)nc1.
What is the InChIKey of 5-butyl-2-cyclohexylpyrimidine?
The InChIKey is FJDQERGOZCJDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-3-7-12-10-15-14(16-11-12)13-8-5-4-6-9-13/h10-11,13H,2-9H2,1H3.
What are the key properties of 5-butyl-2-cyclohexylpyrimidine?
5-butyl-2-cyclohexylpyrimidine has a molecular weight of 218.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-cyclohexylpyrimidine is sourced from PubChem (CID 154503798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).