4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol

C15H15N3OS — CID 28850872

IUPAC4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
SMILESCc1cc2c(NCCc3ccc(O)cc3)ncnc2s1
InChIInChI=1S/C15H15N3OS/c1-10-8-13-14(17-9-18-15(13)20-10)16-7-6-11-2-4-12(19)5-3-11/h2-5,8-9,19H,6-7H2,1H3,(H,16,17,18)
InChIKeyQUJFTRPTXWFUKU-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.36
Rot. Bonds4

About 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol

4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol (PubChem CID 28850872) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
PubChem CID28850872
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
SMILESCc1cc2c(NCCc3ccc(O)cc3)ncnc2s1
InChIInChI=1S/C15H15N3OS/c1-10-8-13-14(17-9-18-15(13)20-10)16-7-6-11-2-4-12(19)5-3-11/h2-5,8-9,19H,6-7H2,1H3,(H,16,17,18)
InChIKeyQUJFTRPTXWFUKU-UHFFFAOYSA-N
XLogP3.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol (CID 28850872) is 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol is Cc1cc2c(NCCc3ccc(O)cc3)ncnc2s1.
What is the InChIKey of 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol?
The InChIKey is QUJFTRPTXWFUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-8-13-14(17-9-18-15(13)20-10)16-7-6-11-2-4-12(19)5-3-11/h2-5,8-9,19H,6-7H2,1H3,(H,16,17,18).
What are the key properties of 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol?
4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol has a molecular weight of 285.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 28850872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).