4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine

C12H10BrClN2O2 — CID 82823540

IUPAC4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine
SMILESCOc1c(Cl)ncnc1OCc1ccc(Br)cc1
InChIInChI=1S/C12H10BrClN2O2/c1-17-10-11(14)15-7-16-12(10)18-6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3
InChIKeyKJNSZVIRKRQZGQ-UHFFFAOYSA-N
MW329.58 g/mol
LogP3.48
Rot. Bonds4

About 4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine

4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine (PubChem CID 82823540) has the molecular formula C12H10BrClN2O2 and a molecular weight of 329.58 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine
PubChem CID82823540
Molecular FormulaC12H10BrClN2O2
Molecular Weight329.58 g/mol
Exact Mass327.96
IUPAC Name4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine
SMILESCOc1c(Cl)ncnc1OCc1ccc(Br)cc1
InChIInChI=1S/C12H10BrClN2O2/c1-17-10-11(14)15-7-16-12(10)18-6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3
InChIKeyKJNSZVIRKRQZGQ-UHFFFAOYSA-N
XLogP3.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.58
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine?
The IUPAC name of 4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine (CID 82823540) is 4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine is COc1c(Cl)ncnc1OCc1ccc(Br)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine?
The InChIKey is KJNSZVIRKRQZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2/c1-17-10-11(14)15-7-16-12(10)18-6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3.
What are the key properties of 4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine?
4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine has a molecular weight of 329.58 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine is sourced from PubChem (CID 82823540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).