N-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine

C13H10BrN3S — CID 118734191

IUPACN-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine
SMILESBrc1cc2c(NCc3ccccc3)ncnc2s1
InChIInChI=1S/C13H10BrN3S/c14-11-6-10-12(16-8-17-13(10)18-11)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16,17)
InChIKeyCZOWLXVMRJKQOL-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.07
Rot. Bonds3

About N-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine

N-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine (PubChem CID 118734191) has the molecular formula C13H10BrN3S and a molecular weight of 320.22 g/mol. Its IUPAC name is N-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine
PubChem CID118734191
Molecular FormulaC13H10BrN3S
Molecular Weight320.22 g/mol
Exact Mass318.98
IUPAC NameN-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine
SMILESBrc1cc2c(NCc3ccccc3)ncnc2s1
InChIInChI=1S/C13H10BrN3S/c14-11-6-10-12(16-8-17-13(10)18-11)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16,17)
InChIKeyCZOWLXVMRJKQOL-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine 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 N-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine (CID 118734191) is N-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine is Brc1cc2c(NCc3ccccc3)ncnc2s1.
What is the InChIKey of N-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CZOWLXVMRJKQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3S/c14-11-6-10-12(16-8-17-13(10)18-11)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16,17).
What are the key properties of N-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine?
N-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine has a molecular weight of 320.22 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-bromothieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118734191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).