2-bromo-5-(methoxymethyl)pyrimidine

C6H7BrN2O — CID 162464595

IUPAC2-bromo-5-(methoxymethyl)pyrimidine
SMILESCOCc1cnc(Br)nc1
InChIInChI=1S/C6H7BrN2O/c1-10-4-5-2-8-6(7)9-3-5/h2-3H,4H2,1H3
InChIKeyHGMCOYNEYHVSFF-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.39
Rot. Bonds2

About 2-bromo-5-(methoxymethyl)pyrimidine

2-bromo-5-(methoxymethyl)pyrimidine (PubChem CID 162464595) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 2-bromo-5-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name2-bromo-5-(methoxymethyl)pyrimidine
PubChem CID162464595
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name2-bromo-5-(methoxymethyl)pyrimidine
SMILESCOCc1cnc(Br)nc1
InChIInChI=1S/C6H7BrN2O/c1-10-4-5-2-8-6(7)9-3-5/h2-3H,4H2,1H3
InChIKeyHGMCOYNEYHVSFF-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 2-bromo-5-(methoxymethyl)pyrimidine?
The IUPAC name of 2-bromo-5-(methoxymethyl)pyrimidine (CID 162464595) is 2-bromo-5-(methoxymethyl)pyrimidine.
What is the SMILES notation for 2-bromo-5-(methoxymethyl)pyrimidine?
The canonical SMILES for 2-bromo-5-(methoxymethyl)pyrimidine is COCc1cnc(Br)nc1.
What is the InChIKey of 2-bromo-5-(methoxymethyl)pyrimidine?
The InChIKey is HGMCOYNEYHVSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-10-4-5-2-8-6(7)9-3-5/h2-3H,4H2,1H3.
What are the key properties of 2-bromo-5-(methoxymethyl)pyrimidine?
2-bromo-5-(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 2-bromo-5-(methoxymethyl)pyrimidine is sourced from PubChem (CID 162464595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).