6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

C20H25N3OS — CID 21012213

IUPAC6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCCCCOc1ccc(Nc2ncnc3sc(CC)cc23)cc1
InChIInChI=1S/C20H25N3OS/c1-3-5-6-7-12-24-16-10-8-15(9-11-16)23-19-18-13-17(4-2)25-20(18)22-14-21-19/h8-11,13-14H,3-7,12H2,1-2H3,(H,21,22,23)
InChIKeyAZKZBBWVSNJIGH-UHFFFAOYSA-N
MW355.51 g/mol
LogP5.96
Rot. Bonds9

About 6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 21012213) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID21012213
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCCCCOc1ccc(Nc2ncnc3sc(CC)cc23)cc1
InChIInChI=1S/C20H25N3OS/c1-3-5-6-7-12-24-16-10-8-15(9-11-16)23-19-18-13-17(4-2)25-20(18)22-14-21-19/h8-11,13-14H,3-7,12H2,1-2H3,(H,21,22,23)
InChIKeyAZKZBBWVSNJIGH-UHFFFAOYSA-N
XLogP5.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.51
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 1412737
4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 21010584
5-(4-ethylphenyl)-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012212
6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 47054747
2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine
CID 82059610
1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
CID 21011274
N-(4-hexoxyphenyl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 21012205
4-N-(4-butoxyphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544296
5-(4-chlorophenyl)-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012220
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 39084934
N-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 46362698

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 21012213) is 6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is CCCCCCOc1ccc(Nc2ncnc3sc(CC)cc23)cc1.
What is the InChIKey of 6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AZKZBBWVSNJIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-3-5-6-7-12-24-16-10-8-15(9-11-16)23-19-18-13-17(4-2)25-20(18)22-14-21-19/h8-11,13-14H,3-7,12H2,1-2H3,(H,21,22,23).
What are the key properties of 6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 355.51 g/mol, XLogP of 5.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21012213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).