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

C15H16BrClN2O — CID 66312461

IUPAC5-bromo-4-chloro-2-[4-(methoxymethyl)phenyl]-6-propan-2-ylpyrimidine
SMILESCOCc1ccc(-c2nc(Cl)c(Br)c(C(C)C)n2)cc1
InChIInChI=1S/C15H16BrClN2O/c1-9(2)13-12(16)14(17)19-15(18-13)11-6-4-10(5-7-11)8-20-3/h4-7,9H,8H2,1-3H3
InChIKeyQDQLXXNQCCPTPH-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.83
Rot. Bonds4

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

5-bromo-4-chloro-2-[4-(methoxymethyl)phenyl]-6-propan-2-ylpyrimidine (PubChem CID 66312461) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[4-(methoxymethyl)phenyl]-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[4-(methoxymethyl)phenyl]-6-propan-2-ylpyrimidine
PubChem CID66312461
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name5-bromo-4-chloro-2-[4-(methoxymethyl)phenyl]-6-propan-2-ylpyrimidine
SMILESCOCc1ccc(-c2nc(Cl)c(Br)c(C(C)C)n2)cc1
InChIInChI=1S/C15H16BrClN2O/c1-9(2)13-12(16)14(17)19-15(18-13)11-6-4-10(5-7-11)8-20-3/h4-7,9H,8H2,1-3H3
InChIKeyQDQLXXNQCCPTPH-UHFFFAOYSA-N
XLogP4.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.83
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-[4-(methoxymethyl)phenyl]-6-propan-2-ylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[4-(methoxymethyl)phenyl]-6-propan-2-ylpyrimidine (CID 66312461) is 5-bromo-4-chloro-2-[4-(methoxymethyl)phenyl]-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[4-(methoxymethyl)phenyl]-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[4-(methoxymethyl)phenyl]-6-propan-2-ylpyrimidine is COCc1ccc(-c2nc(Cl)c(Br)c(C(C)C)n2)cc1.
What is the InChIKey of 5-bromo-4-chloro-2-[4-(methoxymethyl)phenyl]-6-propan-2-ylpyrimidine?
The InChIKey is QDQLXXNQCCPTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-9(2)13-12(16)14(17)19-15(18-13)11-6-4-10(5-7-11)8-20-3/h4-7,9H,8H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-2-[4-(methoxymethyl)phenyl]-6-propan-2-ylpyrimidine?
5-bromo-4-chloro-2-[4-(methoxymethyl)phenyl]-6-propan-2-ylpyrimidine has a molecular weight of 355.66 g/mol, XLogP of 4.83, 4 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-[4-(methoxymethyl)phenyl]-6-propan-2-ylpyrimidine is sourced from PubChem (CID 66312461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).