4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine

C16H26N4 — CID 117211662

IUPAC4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine
SMILESCCc1ncc(N2CCNCC2)c(C2CCCCC2)n1
InChIInChI=1S/C16H26N4/c1-2-15-18-12-14(20-10-8-17-9-11-20)16(19-15)13-6-4-3-5-7-13/h12-13,17H,2-11H2,1H3
InChIKeyLYMFRGGBDWRHFW-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.50
Rot. Bonds3

About 4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine

4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine (PubChem CID 117211662) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine
PubChem CID117211662
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine
SMILESCCc1ncc(N2CCNCC2)c(C2CCCCC2)n1
InChIInChI=1S/C16H26N4/c1-2-15-18-12-14(20-10-8-17-9-11-20)16(19-15)13-6-4-3-5-7-13/h12-13,17H,2-11H2,1H3
InChIKeyLYMFRGGBDWRHFW-UHFFFAOYSA-N
XLogP2.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopentyl-2-ethylpyrimidin-5-yl)piperidin-4-amine
CID 117211578
4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine
CID 117211621
4-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117211014
2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
CID 117211903
2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol
CID 136934525
4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine
CID 117211492
1-(2-cyclohexyl-4-cyclopropylpyrimidin-5-yl)piperidin-4-amine
CID 117211421
1-(4-cyclopentyl-2-propan-2-ylpyrimidin-5-yl)piperidin-4-amine
CID 117211579
2-ethyl-4-piperazin-1-ylpyrimidine;dihydrochloride
CID 18698026
7-ethyl-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 103278342
1-(2-tert-butyl-4-cyclobutylpyrimidin-5-yl)piperidin-4-amine
CID 117211511
2-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117212418

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine?
The IUPAC name of 4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine (CID 117211662) is 4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine is CCc1ncc(N2CCNCC2)c(C2CCCCC2)n1.
What is the InChIKey of 4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine?
The InChIKey is LYMFRGGBDWRHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-15-18-12-14(20-10-8-17-9-11-20)16(19-15)13-6-4-3-5-7-13/h12-13,17H,2-11H2,1H3.
What are the key properties of 4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine?
4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine has a molecular weight of 274.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine is sourced from PubChem (CID 117211662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).