5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine

C16H12BrClN2O — CID 66294471

IUPAC5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine
SMILESCOCc1nc(-c2cccc3ccccc23)nc(Cl)c1Br
InChIInChI=1S/C16H12BrClN2O/c1-21-9-13-14(17)15(18)20-16(19-13)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3
InChIKeyJHYBBAWYJXJNIL-UHFFFAOYSA-N
MW363.64 g/mol
LogP4.86
Rot. Bonds3

About 5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine

5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine (PubChem CID 66294471) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine
PubChem CID66294471
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine
SMILESCOCc1nc(-c2cccc3ccccc23)nc(Cl)c1Br
InChIInChI=1S/C16H12BrClN2O/c1-21-9-13-14(17)15(18)20-16(19-13)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3
InChIKeyJHYBBAWYJXJNIL-UHFFFAOYSA-N
XLogP4.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 54.86
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-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine (CID 66294471) is 5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine is COCc1nc(-c2cccc3ccccc23)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine?
The InChIKey is JHYBBAWYJXJNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c1-21-9-13-14(17)15(18)20-16(19-13)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine?
5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine has a molecular weight of 363.64 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine is sourced from PubChem (CID 66294471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).