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

C14H22N4S — CID 103328125

IUPAC6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCCCNc1nc(N)nc2sc(CC)cc12
InChIInChI=1S/C14H22N4S/c1-3-5-6-7-8-16-12-11-9-10(4-2)19-13(11)18-14(15)17-12/h9H,3-8H2,1-2H3,(H3,15,16,17,18)
InChIKeyWRBCXYYEONYGQR-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.83
Rot. Bonds7

About 6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328125) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328125
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCCCNc1nc(N)nc2sc(CC)cc12
InChIInChI=1S/C14H22N4S/c1-3-5-6-7-8-16-12-11-9-10(4-2)19-13(11)18-14(15)17-12/h9H,3-8H2,1-2H3,(H3,15,16,17,18)
InChIKeyWRBCXYYEONYGQR-UHFFFAOYSA-N
XLogP3.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.83
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

6-ethyl-4-N-(5-methylhexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329299
N-[3-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332303
6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330088
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343217
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
6-ethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106424249
1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103324846
6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324441
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414
4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
6-ethyl-4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327914

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103328125) is 6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine is CCCCCCNc1nc(N)nc2sc(CC)cc12.
What is the InChIKey of 6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is WRBCXYYEONYGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-3-5-6-7-8-16-12-11-9-10(4-2)19-13(11)18-14(15)17-12/h9H,3-8H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 278.43 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).