4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine

C15H14BrClN2O — CID 82824304

IUPAC4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1OCc1cccc(Br)c1
InChIInChI=1S/C15H14BrClN2O/c1-9-13(17)18-14(11-5-6-11)19-15(9)20-8-10-3-2-4-12(16)7-10/h2-4,7,11H,5-6,8H2,1H3
InChIKeyDFSXOLYEBQZWSN-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.66
Rot. Bonds4

About 4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine

4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine (PubChem CID 82824304) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine
PubChem CID82824304
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1OCc1cccc(Br)c1
InChIInChI=1S/C15H14BrClN2O/c1-9-13(17)18-14(11-5-6-11)19-15(9)20-8-10-3-2-4-12(16)7-10/h2-4,7,11H,5-6,8H2,1H3
InChIKeyDFSXOLYEBQZWSN-UHFFFAOYSA-N
XLogP4.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine?
The IUPAC name of 4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine (CID 82824304) is 4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine.
What is the SMILES notation for 4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine?
The canonical SMILES for 4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1OCc1cccc(Br)c1.
What is the InChIKey of 4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine?
The InChIKey is DFSXOLYEBQZWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-9-13(17)18-14(11-5-6-11)19-15(9)20-8-10-3-2-4-12(16)7-10/h2-4,7,11H,5-6,8H2,1H3.
What are the key properties of 4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine?
4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine has a molecular weight of 353.65 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine is sourced from PubChem (CID 82824304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).