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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Related Compounds

[2-methoxy-3-[4-(1-phenylethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol
CID 123810074
[3-fluoro-4-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol
CID 127027086
6-bromo-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 95171151
6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 127026467
methyl 3,5-dimethoxy-4-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzoate
CID 127024863
N-[2-(dimethylamino)ethyl]-4-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzamide
CID 127025789
1H-indol-2-yl-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 57390124
N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7831254
5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 731283
N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
CID 133409464
(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 28849500
[[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-phosphonomethyl]phosphonic acid
CID 71583207

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).