2-chloro-4-(2-cyclobutylethoxy)-5-methylpyrimidine

C11H15ClN2O — CID 106201426

IUPAC2-chloro-4-(2-cyclobutylethoxy)-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1OCCC1CCC1
InChIInChI=1S/C11H15ClN2O/c1-8-7-13-11(12)14-10(8)15-6-5-9-3-2-4-9/h7,9H,2-6H2,1H3
InChIKeyWSHUFRXAKNUGDR-UHFFFAOYSA-N
MW226.71 g/mol
LogP3.01
Rot. Bonds4

About 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyrimidine

2-chloro-4-(2-cyclobutylethoxy)-5-methylpyrimidine (PubChem CID 106201426) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-cyclobutylethoxy)-5-methylpyrimidine
PubChem CID106201426
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-4-(2-cyclobutylethoxy)-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1OCCC1CCC1
InChIInChI=1S/C11H15ClN2O/c1-8-7-13-11(12)14-10(8)15-6-5-9-3-2-4-9/h7,9H,2-6H2,1H3
InChIKeyWSHUFRXAKNUGDR-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)-5-methylpyrimidin-2-amine
CID 106207711
2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine
CID 171097396
2-chloro-5-methyl-4-propoxypyrimidine
CID 79076637
2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine
CID 106201416
4-(2-cyclopropylethoxy)-N,5-dimethylpyrimidin-2-amine
CID 106207519
4-[2-(2,5-dichloropyrimidin-4-yl)oxyethyl]cyclohexan-1-ol
CID 174187752
3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine
CID 79076859
2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine
CID 106201441
2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine
CID 106201301
2-chloro-4-methoxy-5-methylpyrimidine
CID 11051933
[2-(2-cyclobutylethoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 106199510
[5-chloro-4-(2-cyclobutylethoxy)pyrimidin-2-yl]hydrazine
CID 106207949

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyrimidine (CID 106201426) is 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyrimidine is Cc1cnc(Cl)nc1OCCC1CCC1.
What is the InChIKey of 2-chloro-4-(2-cyclobutylethoxy)-5-methylpyrimidine?
The InChIKey is WSHUFRXAKNUGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8-7-13-11(12)14-10(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)-5-methylpyrimidine?
2-chloro-4-(2-cyclobutylethoxy)-5-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)-5-methylpyrimidine is sourced from PubChem (CID 106201426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).