2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine

C14H12BrN3S — CID 107966603

IUPAC2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine
SMILESCNc1nc(-c2csc(Br)c2)nc2cccc(C)c12
InChIInChI=1S/C14H12BrN3S/c1-8-4-3-5-10-12(8)14(16-2)18-13(17-10)9-6-11(15)19-7-9/h3-7H,1-2H3,(H,16,17,18)
InChIKeyLDIGRFFQXOHNKR-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.47
Rot. Bonds2

About 2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine

2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine (PubChem CID 107966603) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine
PubChem CID107966603
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine
SMILESCNc1nc(-c2csc(Br)c2)nc2cccc(C)c12
InChIInChI=1S/C14H12BrN3S/c1-8-4-3-5-10-12(8)14(16-2)18-13(17-10)9-6-11(15)19-7-9/h3-7H,1-2H3,(H,16,17,18)
InChIKeyLDIGRFFQXOHNKR-UHFFFAOYSA-N
XLogP4.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine
CID 107966582
2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline
CID 114021117
6-bromo-N-methyl-2-(3-methylphenyl)quinazolin-4-amine
CID 64981581
2-(3-fluorophenyl)-N,8-dimethylquinazolin-4-amine
CID 64981282
4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline
CID 107960337
4-bromo-N,5-dimethylisoquinolin-1-amine
CID 82572195
5-methyl-2,4-diphenylquinazoline
CID 126746855
6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine
CID 64981376
4-chloro-5-methyl-2-(4-methylphenyl)quinazoline
CID 63086037
2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine
CID 80641425
6-fluoro-2-(4-fluorophenyl)-N-methylquinazolin-4-amine
CID 64980918
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094830

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine?
The IUPAC name of 2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine (CID 107966603) is 2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine.
What is the SMILES notation for 2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine?
The canonical SMILES for 2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine is CNc1nc(-c2csc(Br)c2)nc2cccc(C)c12.
What is the InChIKey of 2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine?
The InChIKey is LDIGRFFQXOHNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-8-4-3-5-10-12(8)14(16-2)18-13(17-10)9-6-11(15)19-7-9/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of 2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine?
2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine has a molecular weight of 334.24 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-3-yl)-N,5-dimethylquinazolin-4-amine is sourced from PubChem (CID 107966603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).