5-bromo-4-(cyclopropylmethoxy)pyrimidine

C8H9BrN2O — CID 66320949

IUPAC5-bromo-4-(cyclopropylmethoxy)pyrimidine
SMILESBrc1cncnc1OCC1CC1
InChIInChI=1S/C8H9BrN2O/c9-7-3-10-5-11-8(7)12-4-6-1-2-6/h3,5-6H,1-2,4H2
InChIKeyUPTIFZFNLFSXLC-UHFFFAOYSA-N
MW229.08 g/mol
LogP2.03
Rot. Bonds3

About 5-bromo-4-(cyclopropylmethoxy)pyrimidine

5-bromo-4-(cyclopropylmethoxy)pyrimidine (PubChem CID 66320949) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 5-bromo-4-(cyclopropylmethoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(cyclopropylmethoxy)pyrimidine
PubChem CID66320949
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name5-bromo-4-(cyclopropylmethoxy)pyrimidine
SMILESBrc1cncnc1OCC1CC1
InChIInChI=1S/C8H9BrN2O/c9-7-3-10-5-11-8(7)12-4-6-1-2-6/h3,5-6H,1-2,4H2
InChIKeyUPTIFZFNLFSXLC-UHFFFAOYSA-N
XLogP2.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(cyclopropylmethoxy)pyrimidine?
The IUPAC name of 5-bromo-4-(cyclopropylmethoxy)pyrimidine (CID 66320949) is 5-bromo-4-(cyclopropylmethoxy)pyrimidine.
What is the SMILES notation for 5-bromo-4-(cyclopropylmethoxy)pyrimidine?
The canonical SMILES for 5-bromo-4-(cyclopropylmethoxy)pyrimidine is Brc1cncnc1OCC1CC1.
What is the InChIKey of 5-bromo-4-(cyclopropylmethoxy)pyrimidine?
The InChIKey is UPTIFZFNLFSXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c9-7-3-10-5-11-8(7)12-4-6-1-2-6/h3,5-6H,1-2,4H2.
What are the key properties of 5-bromo-4-(cyclopropylmethoxy)pyrimidine?
5-bromo-4-(cyclopropylmethoxy)pyrimidine has a molecular weight of 229.08 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(cyclopropylmethoxy)pyrimidine is sourced from PubChem (CID 66320949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).