4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine

C15H16N4S — CID 103324221

IUPAC4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCc2ccccc2)c2ccsc2n1
InChIInChI=1S/C15H16N4S/c1-2-16-15-18-13(12-8-9-20-14(12)19-15)17-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,16,17,18,19)
InChIKeyIFAGTWIRGNUKJX-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.74
Rot. Bonds5

About 4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324221) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324221
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCc2ccccc2)c2ccsc2n1
InChIInChI=1S/C15H16N4S/c1-2-16-15-18-13(12-8-9-20-14(12)19-15)17-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,16,17,18,19)
InChIKeyIFAGTWIRGNUKJX-UHFFFAOYSA-N
XLogP3.74
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine 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

2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324453
4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327305
2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329049
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine
CID 103331360
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411915
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323599
2-hydrazinyl-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103335344

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103324221) is 4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NCc2ccccc2)c2ccsc2n1.
What is the InChIKey of 4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is IFAGTWIRGNUKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-16-15-18-13(12-8-9-20-14(12)19-15)17-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 284.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).