5-bromo-4-(methoxymethyl)pyrimidine

C6H7BrN2O — CID 82374789

IUPAC5-bromo-4-(methoxymethyl)pyrimidine
SMILESCOCc1ncncc1Br
InChIInChI=1S/C6H7BrN2O/c1-10-3-6-5(7)2-8-4-9-6/h2,4H,3H2,1H3
InChIKeyNSPCPUQMSWCGNE-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.39
Rot. Bonds2

About 5-bromo-4-(methoxymethyl)pyrimidine

5-bromo-4-(methoxymethyl)pyrimidine (PubChem CID 82374789) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 5-bromo-4-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(methoxymethyl)pyrimidine
PubChem CID82374789
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name5-bromo-4-(methoxymethyl)pyrimidine
SMILESCOCc1ncncc1Br
InChIInChI=1S/C6H7BrN2O/c1-10-3-6-5(7)2-8-4-9-6/h2,4H,3H2,1H3
InChIKeyNSPCPUQMSWCGNE-UHFFFAOYSA-N
XLogP1.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(methoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-(methoxymethyl)pyrimidine (CID 82374789) is 5-bromo-4-(methoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-(methoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-(methoxymethyl)pyrimidine is COCc1ncncc1Br.
What is the InChIKey of 5-bromo-4-(methoxymethyl)pyrimidine?
The InChIKey is NSPCPUQMSWCGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-10-3-6-5(7)2-8-4-9-6/h2,4H,3H2,1H3.
What are the key properties of 5-bromo-4-(methoxymethyl)pyrimidine?
5-bromo-4-(methoxymethyl)pyrimidine has a molecular weight of 203.04 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(methoxymethyl)pyrimidine is sourced from PubChem (CID 82374789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).