6-bromo-3,5-dimethyl-2H-quinazoline

C10H11BrN2 — CID 172787863

IUPAC6-bromo-3,5-dimethyl-2H-quinazoline
SMILESCc1c(Br)ccc2c1=CN(C)CN=2
InChIInChI=1S/C10H11BrN2/c1-7-8-5-13(2)6-12-10(8)4-3-9(7)11/h3-5H,6H2,1-2H3
InChIKeyPDMSGIZZJJTWOK-UHFFFAOYSA-N
MW239.12 g/mol
LogP1.02
Rot. Bonds

About 6-bromo-3,5-dimethyl-2H-quinazoline

6-bromo-3,5-dimethyl-2H-quinazoline (PubChem CID 172787863) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 6-bromo-3,5-dimethyl-2H-quinazoline.

Molecular Properties

Compound Name6-bromo-3,5-dimethyl-2H-quinazoline
PubChem CID172787863
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name6-bromo-3,5-dimethyl-2H-quinazoline
SMILESCc1c(Br)ccc2c1=CN(C)CN=2
InChIInChI=1S/C10H11BrN2/c1-7-8-5-13(2)6-12-10(8)4-3-9(7)11/h3-5H,6H2,1-2H3
InChIKeyPDMSGIZZJJTWOK-UHFFFAOYSA-N
XLogP1.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-3,5-dimethyl-2H-quinazoline with MolForge

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

Launch Full Analysis

Related Compounds

3-Methylquinazoline
CID 68345740
2-fluoro-3-methyl-2H-quinazoline
CID 150705953
2-fluoro-3,6-dimethyl-2H-quinazoline
CID 151270095
6-bromo-3-chloro-5-fluoro-2H-quinazoline
CID 169787944
6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline
CID 175890660
6-bromo-5-fluoro-3-methyl-2H-quinazoline
CID 175890772
6-Bromo-3-methylquinazolin-2-one
CID 72710582
2,3-dimethyl-2H-quinazoline
CID 23503296
7-bromo-2H-quinazolin-2-ide;propane;yttrium
CID 58546985
6-bromo-3-cyclopropyl-2H-quinazoline
CID 68956138
6-bromo-3-methyl-2H-quinazoline
CID 141185520
3,8-dimethyl-2H-quinazoline
CID 152633432

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,5-dimethyl-2H-quinazoline?
The IUPAC name of 6-bromo-3,5-dimethyl-2H-quinazoline (CID 172787863) is 6-bromo-3,5-dimethyl-2H-quinazoline.
What is the SMILES notation for 6-bromo-3,5-dimethyl-2H-quinazoline?
The canonical SMILES for 6-bromo-3,5-dimethyl-2H-quinazoline is Cc1c(Br)ccc2c1=CN(C)CN=2.
What is the InChIKey of 6-bromo-3,5-dimethyl-2H-quinazoline?
The InChIKey is PDMSGIZZJJTWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-7-8-5-13(2)6-12-10(8)4-3-9(7)11/h3-5H,6H2,1-2H3.
What are the key properties of 6-bromo-3,5-dimethyl-2H-quinazoline?
6-bromo-3,5-dimethyl-2H-quinazoline has a molecular weight of 239.12 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,5-dimethyl-2H-quinazoline is sourced from PubChem (CID 172787863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).