2-cyclododecyl-4-ethylpyrimidine

C18H30N2 — CID 134492338

IUPAC2-cyclododecyl-4-ethylpyrimidine
SMILESCCc1ccnc(C2CCCCCCCCCCC2)n1
InChIInChI=1S/C18H30N2/c1-2-17-14-15-19-18(20-17)16-12-10-8-6-4-3-5-7-9-11-13-16/h14-16H,2-13H2,1H3
InChIKeyQZBPSOIJCLBLTI-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.43
Rot. Bonds2

About 2-cyclododecyl-4-ethylpyrimidine

2-cyclododecyl-4-ethylpyrimidine (PubChem CID 134492338) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-cyclododecyl-4-ethylpyrimidine.

Molecular Properties

Compound Name2-cyclododecyl-4-ethylpyrimidine
PubChem CID134492338
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-cyclododecyl-4-ethylpyrimidine
SMILESCCc1ccnc(C2CCCCCCCCCCC2)n1
InChIInChI=1S/C18H30N2/c1-2-17-14-15-19-18(20-17)16-12-10-8-6-4-3-5-7-9-11-13-16/h14-16H,2-13H2,1H3
InChIKeyQZBPSOIJCLBLTI-UHFFFAOYSA-N
XLogP5.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclododecyl-4-ethylpyrimidine?
The IUPAC name of 2-cyclododecyl-4-ethylpyrimidine (CID 134492338) is 2-cyclododecyl-4-ethylpyrimidine.
What is the SMILES notation for 2-cyclododecyl-4-ethylpyrimidine?
The canonical SMILES for 2-cyclododecyl-4-ethylpyrimidine is CCc1ccnc(C2CCCCCCCCCCC2)n1.
What is the InChIKey of 2-cyclododecyl-4-ethylpyrimidine?
The InChIKey is QZBPSOIJCLBLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-17-14-15-19-18(20-17)16-12-10-8-6-4-3-5-7-9-11-13-16/h14-16H,2-13H2,1H3.
What are the key properties of 2-cyclododecyl-4-ethylpyrimidine?
2-cyclododecyl-4-ethylpyrimidine has a molecular weight of 274.45 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclododecyl-4-ethylpyrimidine is sourced from PubChem (CID 134492338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).