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

C10H10BrClN4O — CID 66311885

IUPAC5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methylimidazol-4-yl)pyrimidine
SMILESCOCc1nc(-c2cncn2C)nc(Cl)c1Br
InChIInChI=1S/C10H10BrClN4O/c1-16-5-13-3-7(16)10-14-6(4-17-2)8(11)9(12)15-10/h3,5H,4H2,1-2H3
InChIKeyXZBXXYUYPSSECA-UHFFFAOYSA-N
MW317.57 g/mol
LogP2.44
Rot. Bonds3

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

5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methylimidazol-4-yl)pyrimidine (PubChem CID 66311885) has the molecular formula C10H10BrClN4O and a molecular weight of 317.57 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methylimidazol-4-yl)pyrimidine
PubChem CID66311885
Molecular FormulaC10H10BrClN4O
Molecular Weight317.57 g/mol
Exact Mass315.97
IUPAC Name5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methylimidazol-4-yl)pyrimidine
SMILESCOCc1nc(-c2cncn2C)nc(Cl)c1Br
InChIInChI=1S/C10H10BrClN4O/c1-16-5-13-3-7(16)10-14-6(4-17-2)8(11)9(12)15-10/h3,5H,4H2,1-2H3
InChIKeyXZBXXYUYPSSECA-UHFFFAOYSA-N
XLogP2.44
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methylimidazol-4-yl)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-methylimidazol-4-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methylimidazol-4-yl)pyrimidine (CID 66311885) is 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methylimidazol-4-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methylimidazol-4-yl)pyrimidine is COCc1nc(-c2cncn2C)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methylimidazol-4-yl)pyrimidine?
The InChIKey is XZBXXYUYPSSECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4O/c1-16-5-13-3-7(16)10-14-6(4-17-2)8(11)9(12)15-10/h3,5H,4H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methylimidazol-4-yl)pyrimidine?
5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methylimidazol-4-yl)pyrimidine has a molecular weight of 317.57 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-(methoxymethyl)-2-(3-methylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 66311885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).