4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine

C15H15ClN2O — CID 126705473

IUPAC4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine
SMILESCc1cc(-c2ccc(C3(C)COC3)c(Cl)c2)ncn1
InChIInChI=1S/C15H15ClN2O/c1-10-5-14(18-9-17-10)11-3-4-12(13(16)6-11)15(2)7-19-8-15/h3-6,9H,7-8H2,1-2H3
InChIKeyUHIFAJBURCWURH-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.39
Rot. Bonds2

About 4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine

4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine (PubChem CID 126705473) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine
PubChem CID126705473
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine
SMILESCc1cc(-c2ccc(C3(C)COC3)c(Cl)c2)ncn1
InChIInChI=1S/C15H15ClN2O/c1-10-5-14(18-9-17-10)11-3-4-12(13(16)6-11)15(2)7-19-8-15/h3-6,9H,7-8H2,1-2H3
InChIKeyUHIFAJBURCWURH-UHFFFAOYSA-N
XLogP3.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine?
The IUPAC name of 4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine (CID 126705473) is 4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine.
What is the SMILES notation for 4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine?
The canonical SMILES for 4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine is Cc1cc(-c2ccc(C3(C)COC3)c(Cl)c2)ncn1.
What is the InChIKey of 4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine?
The InChIKey is UHIFAJBURCWURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-5-14(18-9-17-10)11-3-4-12(13(16)6-11)15(2)7-19-8-15/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine?
4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine has a molecular weight of 274.75 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(3-methyloxetan-3-yl)phenyl]-6-methylpyrimidine is sourced from PubChem (CID 126705473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).