N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride

C14H14ClN3S — CID 2972450

IUPACN-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCc1cc2c(NCc3ccccc3)ncnc2s1.Cl
InChIInChI=1S/C14H13N3S.ClH/c1-10-7-12-13(16-9-17-14(12)18-10)15-8-11-5-3-2-4-6-11;/h2-7,9H,8H2,1H3,(H,15,16,17);1H
InChIKeySOQXUGDQKMFBJT-UHFFFAOYSA-N
MW291.81 g/mol
LogP4.03
Rot. Bonds3

About N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride

N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 2972450) has the molecular formula C14H14ClN3S and a molecular weight of 291.81 g/mol. Its IUPAC name is N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID2972450
Molecular FormulaC14H14ClN3S
Molecular Weight291.81 g/mol
Exact Mass291.06
IUPAC NameN-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCc1cc2c(NCc3ccccc3)ncnc2s1.Cl
InChIInChI=1S/C14H13N3S.ClH/c1-10-7-12-13(16-9-17-14(12)18-10)15-8-11-5-3-2-4-6-11;/h2-7,9H,8H2,1H3,(H,15,16,17);1H
InChIKeySOQXUGDQKMFBJT-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride 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-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride (CID 2972450) is N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride is Cc1cc2c(NCc3ccccc3)ncnc2s1.Cl.
What is the InChIKey of N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is SOQXUGDQKMFBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S.ClH/c1-10-7-12-13(16-9-17-14(12)18-10)15-8-11-5-3-2-4-6-11;/h2-7,9H,8H2,1H3,(H,15,16,17);1H.
What are the key properties of N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 291.81 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 2972450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).