5-bromo-2-phenylmethoxypyrimidine

C11H9BrN2O — CID 42553055

IUPAC5-bromo-2-phenylmethoxypyrimidine
SMILESBrc1cnc(OCc2ccccc2)nc1
InChIInChI=1S/C11H9BrN2O/c12-10-6-13-11(14-7-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyRDGZEALFIOPSCC-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.82
Rot. Bonds3

About 5-bromo-2-phenylmethoxypyrimidine

5-bromo-2-phenylmethoxypyrimidine (PubChem CID 42553055) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 5-bromo-2-phenylmethoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-phenylmethoxypyrimidine
PubChem CID42553055
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name5-bromo-2-phenylmethoxypyrimidine
SMILESBrc1cnc(OCc2ccccc2)nc1
InChIInChI=1S/C11H9BrN2O/c12-10-6-13-11(14-7-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyRDGZEALFIOPSCC-UHFFFAOYSA-N
XLogP2.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Bis(benzyloxy)-5-bromopyrimidine
CID 256039
5-[[3-(Butoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 14999841
5-[[3-(Methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 14999843
US9205085, Msx-208
CID 58757234
5-(Benzyloxy)pyrimidine
CID 19745647
5-[[2-(Methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 10705453
2-(Phenylmethoxy)-4-pyrimidinamine
CID 308510
benzyl N-pyrimidin-2-ylcarbamate
CID 85733538
2-Chloro-4-benzyloxy-5-fluoropyrimidine
CID 12864088
4-(Benzyloxy)-2-chloropyrimidine
CID 15133237
5-(Benzyloxy)pyrimidin-2-amine
CID 20748397
5-(Benzyloxy)-2-chloropyrimidine
CID 44558542

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenylmethoxypyrimidine?
The IUPAC name of 5-bromo-2-phenylmethoxypyrimidine (CID 42553055) is 5-bromo-2-phenylmethoxypyrimidine.
What is the SMILES notation for 5-bromo-2-phenylmethoxypyrimidine?
The canonical SMILES for 5-bromo-2-phenylmethoxypyrimidine is Brc1cnc(OCc2ccccc2)nc1.
What is the InChIKey of 5-bromo-2-phenylmethoxypyrimidine?
The InChIKey is RDGZEALFIOPSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-10-6-13-11(14-7-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 5-bromo-2-phenylmethoxypyrimidine?
5-bromo-2-phenylmethoxypyrimidine has a molecular weight of 265.11 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenylmethoxypyrimidine is sourced from PubChem (CID 42553055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).