5-bromo-4-(bromomethyl)-2,6-dimethoxypyrimidine

C7H8Br2N2O2 — CID 16732575

IUPAC5-bromo-4-(bromomethyl)-2,6-dimethoxypyrimidine
SMILESCOc1nc(CBr)c(Br)c(OC)n1
InChIInChI=1S/C7H8Br2N2O2/c1-12-6-5(9)4(3-8)10-7(11-6)13-2/h3H2,1-2H3
InChIKeyTXNUTTSZWGCHMV-UHFFFAOYSA-N
MW311.96 g/mol
LogP2.15
Rot. Bonds3

About 5-bromo-4-(bromomethyl)-2,6-dimethoxypyrimidine

5-bromo-4-(bromomethyl)-2,6-dimethoxypyrimidine (PubChem CID 16732575) has the molecular formula C7H8Br2N2O2 and a molecular weight of 311.96 g/mol. Its IUPAC name is 5-bromo-4-(bromomethyl)-2,6-dimethoxypyrimidine.

Molecular Properties

Compound Name5-bromo-4-(bromomethyl)-2,6-dimethoxypyrimidine
PubChem CID16732575
Molecular FormulaC7H8Br2N2O2
Molecular Weight311.96 g/mol
Exact Mass309.90
IUPAC Name5-bromo-4-(bromomethyl)-2,6-dimethoxypyrimidine
SMILESCOc1nc(CBr)c(Br)c(OC)n1
InChIInChI=1S/C7H8Br2N2O2/c1-12-6-5(9)4(3-8)10-7(11-6)13-2/h3H2,1-2H3
InChIKeyTXNUTTSZWGCHMV-UHFFFAOYSA-N
XLogP2.15
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.96
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,4-Dimethoxy-6-methylpyrimidine
CID 269820
(5-Bromo-4-methoxy-6-methyl-pyrimidin-2-yloxy)-acetic acid ethyl ester
CID 645131
5-Bromo-6-dibromomethyl-2,4-dimethoxypyrimidine
CID 16732576
N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)acetamide
CID 742815
5-Bromo-4-methoxy-6-methylpyrimidine
CID 56592978
5-Bromo-4-methyl-6-(2,2,3,3-tetrafluoro-propoxy)-pyrimidin-2-ylamine
CID 1379281
5-Bromo-2,4-dimethoxy-6-methylpyrimidine
CID 12357924
Methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate
CID 664203
2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine
CID 58252332
2,4-Dimethoxy-5,6-dimethylpyrimidine
CID 11378723
5-Iodo-2,4-dimethoxy-6-methylpyrimidine
CID 13798479
5-Bromo-4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 3109470

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(bromomethyl)-2,6-dimethoxypyrimidine?
The IUPAC name of 5-bromo-4-(bromomethyl)-2,6-dimethoxypyrimidine (CID 16732575) is 5-bromo-4-(bromomethyl)-2,6-dimethoxypyrimidine.
What is the SMILES notation for 5-bromo-4-(bromomethyl)-2,6-dimethoxypyrimidine?
The canonical SMILES for 5-bromo-4-(bromomethyl)-2,6-dimethoxypyrimidine is COc1nc(CBr)c(Br)c(OC)n1.
What is the InChIKey of 5-bromo-4-(bromomethyl)-2,6-dimethoxypyrimidine?
The InChIKey is TXNUTTSZWGCHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2N2O2/c1-12-6-5(9)4(3-8)10-7(11-6)13-2/h3H2,1-2H3.
What are the key properties of 5-bromo-4-(bromomethyl)-2,6-dimethoxypyrimidine?
5-bromo-4-(bromomethyl)-2,6-dimethoxypyrimidine has a molecular weight of 311.96 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(bromomethyl)-2,6-dimethoxypyrimidine is sourced from PubChem (CID 16732575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).