2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol

C20H17N3OS — CID 123343043

IUPAC2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol
SMILESCC(Nc1ncnc2sc(-c3ccccc3O)cc12)c1ccccc1
InChIInChI=1S/C20H17N3OS/c1-13(14-7-3-2-4-8-14)23-19-16-11-18(25-20(16)22-12-21-19)15-9-5-6-10-17(15)24/h2-13,24H,1H3,(H,21,22,23)
InChIKeyGVPXCFRAZKHSPN-UHFFFAOYSA-N
MW347.44 g/mol
LogP5.24
Rot. Bonds4

About 2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol

2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol (PubChem CID 123343043) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol.

Molecular Properties

Compound Name2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol
PubChem CID123343043
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol
SMILESCC(Nc1ncnc2sc(-c3ccccc3O)cc12)c1ccccc1
InChIInChI=1S/C20H17N3OS/c1-13(14-7-3-2-4-8-14)23-19-16-11-18(25-20(16)22-12-21-19)15-9-5-6-10-17(15)24/h2-13,24H,1H3,(H,21,22,23)
InChIKeyGVPXCFRAZKHSPN-UHFFFAOYSA-N
XLogP5.24
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol?
The IUPAC name of 2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol (CID 123343043) is 2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol.
What is the SMILES notation for 2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol?
The canonical SMILES for 2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol is CC(Nc1ncnc2sc(-c3ccccc3O)cc12)c1ccccc1.
What is the InChIKey of 2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol?
The InChIKey is GVPXCFRAZKHSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-13(14-7-3-2-4-8-14)23-19-16-11-18(25-20(16)22-12-21-19)15-9-5-6-10-17(15)24/h2-13,24H,1H3,(H,21,22,23).
What are the key properties of 2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol?
2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol has a molecular weight of 347.44 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenol is sourced from PubChem (CID 123343043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).