1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone

C16H15N3OS — CID 21011274

IUPAC1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
SMILESCCc1cc2c(Nc3cccc(C(C)=O)c3)ncnc2s1
InChIInChI=1S/C16H15N3OS/c1-3-13-8-14-15(17-9-18-16(14)21-13)19-12-6-4-5-11(7-12)10(2)20/h4-9H,3H2,1-2H3,(H,17,18,19)
InChIKeyWEMJZIUWKOXQGJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.20
Rot. Bonds4

About 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone

1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone (PubChem CID 21011274) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
PubChem CID21011274
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
SMILESCCc1cc2c(Nc3cccc(C(C)=O)c3)ncnc2s1
InChIInChI=1S/C16H15N3OS/c1-3-13-8-14-15(17-9-18-16(14)21-13)19-12-6-4-5-11(7-12)10(2)20/h4-9H,3H2,1-2H3,(H,17,18,19)
InChIKeyWEMJZIUWKOXQGJ-UHFFFAOYSA-N
XLogP4.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone with MolForge

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Related Compounds

ethyl 4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 1412737
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
CID 21002622
1-[3-(8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylamino)phenyl]ethanone
CID 110435109
6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 21010584
1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one
CID 133325076
1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 110434526
1-[3-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone
CID 23486044
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 47054747
1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone
CID 17422025
6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012213
1-[3-[[5-amino-6-(butan-2-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547542

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone (CID 21011274) is 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone is CCc1cc2c(Nc3cccc(C(C)=O)c3)ncnc2s1.
What is the InChIKey of 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone?
The InChIKey is WEMJZIUWKOXQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-3-13-8-14-15(17-9-18-16(14)21-13)19-12-6-4-5-11(7-12)10(2)20/h4-9H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone?
1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone has a molecular weight of 297.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 21011274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).