N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide

C16H16N4OS — CID 133408754

IUPACN-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
SMILESCc1cc2c(NCCNC(=O)c3ccccc3)ncnc2s1
InChIInChI=1S/C16H16N4OS/c1-11-9-13-14(19-10-20-16(13)22-11)17-7-8-18-15(21)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyZLIBDRCLOAMZLB-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.84
Rot. Bonds5

About N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide

N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide (PubChem CID 133408754) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
PubChem CID133408754
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
SMILESCc1cc2c(NCCNC(=O)c3ccccc3)ncnc2s1
InChIInChI=1S/C16H16N4OS/c1-11-9-13-14(19-10-20-16(13)22-11)17-7-8-18-15(21)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyZLIBDRCLOAMZLB-UHFFFAOYSA-N
XLogP2.84
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 75509069
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 133408802
3-methyl-2-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoylamino]butanoic acid
CID 82032753
N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39161916
6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 133434436
4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 28850872
N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39084785
N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
CID 133409464
5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81088363
2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 39084793
2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol
CID 28850882
6-methyl-N-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 2974524

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide?
The IUPAC name of N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide (CID 133408754) is N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide is Cc1cc2c(NCCNC(=O)c3ccccc3)ncnc2s1.
What is the InChIKey of N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide?
The InChIKey is ZLIBDRCLOAMZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-9-13-14(19-10-20-16(13)22-11)17-7-8-18-15(21)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide?
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide has a molecular weight of 312.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 133408754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).