5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine

C15H16BrClN2O — CID 66312435

IUPAC5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine
SMILESCCCc1nc(-c2ccccc2COC)nc(Cl)c1Br
InChIInChI=1S/C15H16BrClN2O/c1-3-6-12-13(16)14(17)19-15(18-12)11-8-5-4-7-10(11)9-20-2/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyRXVYBKOXRAONBK-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.66
Rot. Bonds5

About 5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine

5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine (PubChem CID 66312435) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine
PubChem CID66312435
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine
SMILESCCCc1nc(-c2ccccc2COC)nc(Cl)c1Br
InChIInChI=1S/C15H16BrClN2O/c1-3-6-12-13(16)14(17)19-15(18-12)11-8-5-4-7-10(11)9-20-2/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyRXVYBKOXRAONBK-UHFFFAOYSA-N
XLogP4.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine (CID 66312435) is 5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine is CCCc1nc(-c2ccccc2COC)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine?
The InChIKey is RXVYBKOXRAONBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-3-6-12-13(16)14(17)19-15(18-12)11-8-5-4-7-10(11)9-20-2/h4-5,7-8H,3,6,9H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine?
5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine has a molecular weight of 355.66 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine is sourced from PubChem (CID 66312435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).