5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine

C10H14BrClN2O2 — CID 66293231

IUPAC5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine
SMILESCOCCCc1nc(Cl)c(Br)c(COC)n1
InChIInChI=1S/C10H14BrClN2O2/c1-15-5-3-4-8-13-7(6-16-2)9(11)10(12)14-8/h3-6H2,1-2H3
InChIKeyVQYQNLGEDSPPGR-UHFFFAOYSA-N
MW309.59 g/mol
LogP2.62
Rot. Bonds6

About 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine

5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine (PubChem CID 66293231) has the molecular formula C10H14BrClN2O2 and a molecular weight of 309.59 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine
PubChem CID66293231
Molecular FormulaC10H14BrClN2O2
Molecular Weight309.59 g/mol
Exact Mass307.99
IUPAC Name5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine
SMILESCOCCCc1nc(Cl)c(Br)c(COC)n1
InChIInChI=1S/C10H14BrClN2O2/c1-15-5-3-4-8-13-7(6-16-2)9(11)10(12)14-8/h3-6H2,1-2H3
InChIKeyVQYQNLGEDSPPGR-UHFFFAOYSA-N
XLogP2.62
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.59
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine (CID 66293231) is 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine is COCCCc1nc(Cl)c(Br)c(COC)n1.
What is the InChIKey of 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine?
The InChIKey is VQYQNLGEDSPPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2/c1-15-5-3-4-8-13-7(6-16-2)9(11)10(12)14-8/h3-6H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine?
5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine has a molecular weight of 309.59 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methoxypropyl)pyrimidine is sourced from PubChem (CID 66293231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).