2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine

C13H19ClN2O — CID 80973288

IUPAC2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1OC1CCC1
InChIInChI=1S/C13H19ClN2O/c1-8-10(14)15-12(13(2,3)4)16-11(8)17-9-6-5-7-9/h9H,5-7H2,1-4H3
InChIKeyMIFMEFWFNJDQSS-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.67
Rot. Bonds2

About 2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine

2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine (PubChem CID 80973288) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine
PubChem CID80973288
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1OC1CCC1
InChIInChI=1S/C13H19ClN2O/c1-8-10(14)15-12(13(2,3)4)16-11(8)17-9-6-5-7-9/h9H,5-7H2,1-4H3
InChIKeyMIFMEFWFNJDQSS-UHFFFAOYSA-N
XLogP3.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine
CID 80974231
2-tert-butyl-4-chloro-5-methyl-6-(2-methylcyclohexyl)oxypyrimidine
CID 80973395
2-tert-butyl-4-chloro-6-(cyclopropylmethoxy)-5-methylpyrimidine
CID 80974383
2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine
CID 106201311
4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine
CID 80973778
4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine
CID 80974080
2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 80972664
2-tert-butyl-6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
CID 80972600
2-tert-butyl-4-but-3-ynoxy-6-chloro-5-methylpyrimidine
CID 106794863
2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine
CID 80972845
2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine
CID 80978132
2-tert-butyl-4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidine
CID 80973267

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine (CID 80973288) is 2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine is Cc1c(Cl)nc(C(C)(C)C)nc1OC1CCC1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine?
The InChIKey is MIFMEFWFNJDQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-8-10(14)15-12(13(2,3)4)16-11(8)17-9-6-5-7-9/h9H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine?
2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine has a molecular weight of 254.76 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-cyclobutyloxy-5-methylpyrimidine is sourced from PubChem (CID 80973288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).