4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine

C11H15ClN2 — CID 64981738

IUPAC4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine
SMILESCCc1c(C)nc(C2CCC2)nc1Cl
InChIInChI=1S/C11H15ClN2/c1-3-9-7(2)13-11(14-10(9)12)8-5-4-6-8/h8H,3-6H2,1-2H3
InChIKeyKUUGHPYVOZDLKX-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.27
Rot. Bonds2

About 4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine

4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine (PubChem CID 64981738) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine
PubChem CID64981738
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine
SMILESCCc1c(C)nc(C2CCC2)nc1Cl
InChIInChI=1S/C11H15ClN2/c1-3-9-7(2)13-11(14-10(9)12)8-5-4-6-8/h8H,3-6H2,1-2H3
InChIKeyKUUGHPYVOZDLKX-UHFFFAOYSA-N
XLogP3.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine (CID 64981738) is 4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine is CCc1c(C)nc(C2CCC2)nc1Cl.
What is the InChIKey of 4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine?
The InChIKey is KUUGHPYVOZDLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-3-9-7(2)13-11(14-10(9)12)8-5-4-6-8/h8H,3-6H2,1-2H3.
What are the key properties of 4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine?
4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine has a molecular weight of 210.71 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine is sourced from PubChem (CID 64981738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).