5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine

C14H14N4S — CID 69061425

IUPAC5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1sc2ncnc(N)c2c1-c1ccc(N)cc1
InChIInChI=1S/C14H14N4S/c1-2-10-11(8-3-5-9(15)6-4-8)12-13(16)17-7-18-14(12)19-10/h3-7H,2,15H2,1H3,(H2,16,17,18)
InChIKeyDODOWNVNYJBRTM-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.09
Rot. Bonds2

About 5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine

5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 69061425) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID69061425
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1sc2ncnc(N)c2c1-c1ccc(N)cc1
InChIInChI=1S/C14H14N4S/c1-2-10-11(8-3-5-9(15)6-4-8)12-13(16)17-7-18-14(12)19-10/h3-7H,2,15H2,1H3,(H2,16,17,18)
InChIKeyDODOWNVNYJBRTM-UHFFFAOYSA-N
XLogP3.09
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 69061425) is 5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1sc2ncnc(N)c2c1-c1ccc(N)cc1.
What is the InChIKey of 5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DODOWNVNYJBRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-10-11(8-3-5-9(15)6-4-8)12-13(16)17-7-18-14(12)19-10/h3-7H,2,15H2,1H3,(H2,16,17,18).
What are the key properties of 5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69061425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).