1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine

C15H18BrN3S — CID 81424302

IUPAC1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
SMILESCNCC1CCc2nc(-c3ccc(Br)s3)nc(C)c2C1
InChIInChI=1S/C15H18BrN3S/c1-9-11-7-10(8-17-2)3-4-12(11)19-15(18-9)13-5-6-14(16)20-13/h5-6,10,17H,3-4,7-8H2,1-2H3
InChIKeyIYQADYVBJRNUII-UHFFFAOYSA-N
MW352.30 g/mol
LogP3.60
Rot. Bonds3

About 1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine

1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine (PubChem CID 81424302) has the molecular formula C15H18BrN3S and a molecular weight of 352.30 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
PubChem CID81424302
Molecular FormulaC15H18BrN3S
Molecular Weight352.30 g/mol
Exact Mass351.04
IUPAC Name1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
SMILESCNCC1CCc2nc(-c3ccc(Br)s3)nc(C)c2C1
InChIInChI=1S/C15H18BrN3S/c1-9-11-7-10(8-17-2)3-4-12(11)19-15(18-9)13-5-6-14(16)20-13/h5-6,10,17H,3-4,7-8H2,1-2H3
InChIKeyIYQADYVBJRNUII-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine 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 1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine (CID 81424302) is 1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine is CNCC1CCc2nc(-c3ccc(Br)s3)nc(C)c2C1.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The InChIKey is IYQADYVBJRNUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3S/c1-9-11-7-10(8-17-2)3-4-12(11)19-15(18-9)13-5-6-14(16)20-13/h5-6,10,17H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine has a molecular weight of 352.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine is sourced from PubChem (CID 81424302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).