N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine

C13H11N3S — CID 4882445

IUPACN-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C13H11N3S/c1-14-12-10-7-11(9-5-3-2-4-6-9)17-13(10)16-8-15-12/h2-8H,1H3,(H,14,15,16)
InChIKeyFXBUYWHDWVJPDY-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.40
Rot. Bonds2

About N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine

N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 4882445) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID4882445
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC NameN-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C13H11N3S/c1-14-12-10-7-11(9-5-3-2-4-6-9)17-13(10)16-8-15-12/h2-8H,1H3,(H,14,15,16)
InChIKeyFXBUYWHDWVJPDY-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-6-phenylthieno[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-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 4882445) is N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine is CNc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FXBUYWHDWVJPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-14-12-10-7-11(9-5-3-2-4-6-9)17-13(10)16-8-15-12/h2-8H,1H3,(H,14,15,16).
What are the key properties of N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 241.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4882445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).