2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine

C11H15ClN2O — CID 106201441

IUPAC2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine
SMILESCc1cc(OCCC2CCC2)nc(Cl)n1
InChIInChI=1S/C11H15ClN2O/c1-8-7-10(14-11(12)13-8)15-6-5-9-3-2-4-9/h7,9H,2-6H2,1H3
InChIKeyBWHHYMRYFIMONC-UHFFFAOYSA-N
MW226.71 g/mol
LogP3.01
Rot. Bonds4

About 2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine

2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine (PubChem CID 106201441) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine
PubChem CID106201441
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine
SMILESCc1cc(OCCC2CCC2)nc(Cl)n1
InChIInChI=1S/C11H15ClN2O/c1-8-7-10(14-11(12)13-8)15-6-5-9-3-2-4-9/h7,9H,2-6H2,1H3
InChIKeyBWHHYMRYFIMONC-UHFFFAOYSA-N
XLogP3.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclobutylethoxy)-6-methylpyrimidin-2-amine
CID 106207412
2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine
CID 114157440
4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine
CID 106203574
2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine
CID 62477621
2-chloro-4-methyl-6-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 97162859
2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride
CID 71638609
tert-butyl 2-[2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl]piperidine-1-carboxylate
CID 71634410
4-(2-cyclopropylethoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 106207480
2-chloro-4-(2-cyclobutylethoxy)-5-methylpyrimidine
CID 106201426
2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile
CID 106201384
[6-(2-cyclobutylethoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 106207928
2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine
CID 97162856

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine (CID 106201441) is 2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine is Cc1cc(OCCC2CCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine?
The InChIKey is BWHHYMRYFIMONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8-7-10(14-11(12)13-8)15-6-5-9-3-2-4-9/h7,9H,2-6H2,1H3.
What are the key properties of 2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine?
2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine has a molecular weight of 226.71 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine is sourced from PubChem (CID 106201441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).