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

C12H18N4S — CID 103324250

IUPAC4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(NCC)nc2sccc12
InChIInChI=1S/C12H18N4S/c1-3-5-7-14-10-9-6-8-17-11(9)16-12(15-10)13-4-2/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyKMUIAPKITKERRC-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.34
Rot. Bonds6

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

4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324250) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324250
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(NCC)nc2sccc12
InChIInChI=1S/C12H18N4S/c1-3-5-7-14-10-9-6-8-17-11(9)16-12(15-10)13-4-2/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyKMUIAPKITKERRC-UHFFFAOYSA-N
XLogP3.34
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-butyl-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-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 103325026
6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 107855237
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
2-N-ethyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328858
2-N-propyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329352
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325853
2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330597
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 103326824
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324453

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103324250) is 4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine is CCCCNc1nc(NCC)nc2sccc12.
What is the InChIKey of 4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is KMUIAPKITKERRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-3-5-7-14-10-9-6-8-17-11(9)16-12(15-10)13-4-2/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 250.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).