2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine

C13H20N4S — CID 103324261

IUPAC2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCCNc1nc(NCC)nc2sccc12
InChIInChI=1S/C13H20N4S/c1-3-5-6-8-15-11-10-7-9-18-12(10)17-13(16-11)14-4-2/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyDFLXDCDWCLUXKU-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.73
Rot. Bonds7

About 2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine

2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324261) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324261
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCCNc1nc(NCC)nc2sccc12
InChIInChI=1S/C13H20N4S/c1-3-5-6-8-15-11-10-7-9-18-12(10)17-13(16-11)14-4-2/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyDFLXDCDWCLUXKU-UHFFFAOYSA-N
XLogP3.73
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
6-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 107855237
N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 103325026
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
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103324261) is 2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine is CCCCCNc1nc(NCC)nc2sccc12.
What is the InChIKey of 2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is DFLXDCDWCLUXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-3-5-6-8-15-11-10-7-9-18-12(10)17-13(16-11)14-4-2/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 264.40 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).