4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol

C14H13N3OS — CID 47060280

IUPAC4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol
SMILESOc1ccc(CCNc2ncnc3sccc23)cc1
InChIInChI=1S/C14H13N3OS/c18-11-3-1-10(2-4-11)5-7-15-13-12-6-8-19-14(12)17-9-16-13/h1-4,6,8-9,18H,5,7H2,(H,15,16,17)
InChIKeyFQQSEYJLMXBYNI-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.05
Rot. Bonds4

About 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol

4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol (PubChem CID 47060280) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol
PubChem CID47060280
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol
SMILESOc1ccc(CCNc2ncnc3sccc23)cc1
InChIInChI=1S/C14H13N3OS/c18-11-3-1-10(2-4-11)5-7-15-13-12-6-8-19-14(12)17-9-16-13/h1-4,6,8-9,18H,5,7H2,(H,15,16,17)
InChIKeyFQQSEYJLMXBYNI-UHFFFAOYSA-N
XLogP3.05
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol?
The IUPAC name of 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol (CID 47060280) is 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol?
The canonical SMILES for 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol is Oc1ccc(CCNc2ncnc3sccc23)cc1.
What is the InChIKey of 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol?
The InChIKey is FQQSEYJLMXBYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-11-3-1-10(2-4-11)5-7-15-13-12-6-8-19-14(12)17-9-16-13/h1-4,6,8-9,18H,5,7H2,(H,15,16,17).
What are the key properties of 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol?
4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol has a molecular weight of 271.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol is sourced from PubChem (CID 47060280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).