6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine

C13H9Br2N3S — CID 107966582

IUPAC6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2csc(Br)c2)nc2ccc(Br)cc12
InChIInChI=1S/C13H9Br2N3S/c1-16-13-9-5-8(14)2-3-10(9)17-12(18-13)7-4-11(15)19-6-7/h2-6H,1H3,(H,16,17,18)
InChIKeyMMLVCLKWIKNOAP-UHFFFAOYSA-N
MW399.11 g/mol
LogP4.93
Rot. Bonds2

About 6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine

6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine (PubChem CID 107966582) has the molecular formula C13H9Br2N3S and a molecular weight of 399.11 g/mol. Its IUPAC name is 6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine
PubChem CID107966582
Molecular FormulaC13H9Br2N3S
Molecular Weight399.11 g/mol
Exact Mass396.89
IUPAC Name6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2csc(Br)c2)nc2ccc(Br)cc12
InChIInChI=1S/C13H9Br2N3S/c1-16-13-9-5-8(14)2-3-10(9)17-12(18-13)7-4-11(15)19-6-7/h2-6H,1H3,(H,16,17,18)
InChIKeyMMLVCLKWIKNOAP-UHFFFAOYSA-N
XLogP4.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.11
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-methyl-2-(3-methylphenyl)quinazolin-4-amine
CID 64981581
2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine
CID 107966603
6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine
CID 64981378
6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine
CID 64981376
6-fluoro-2-(4-fluorophenyl)-N-methylquinazolin-4-amine
CID 64980918
6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine
CID 64981527
6-bromo-N,2-diphenylquinazolin-4-amine
CID 23910410
6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine
CID 107100397
2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine
CID 64981113
2-(4-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine
CID 64981367
2-(5-bromo-2-chlorophenyl)-N,6-dimethylquinazolin-4-amine
CID 64981078
6-methoxy-N-methyl-2-thiophen-3-ylquinazolin-4-amine
CID 64980900

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine?
The IUPAC name of 6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine (CID 107966582) is 6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine?
The canonical SMILES for 6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine is CNc1nc(-c2csc(Br)c2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine?
The InChIKey is MMLVCLKWIKNOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3S/c1-16-13-9-5-8(14)2-3-10(9)17-12(18-13)7-4-11(15)19-6-7/h2-6H,1H3,(H,16,17,18).
What are the key properties of 6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine?
6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine has a molecular weight of 399.11 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 107966582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).