(3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol

C17H17N3O2S — CID 163307342

IUPAC(3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol
SMILESO[C@H]1CN(c2ncnc3sccc23)CC[C@]1(O)c1ccccc1
InChIInChI=1S/C17H17N3O2S/c21-14-10-20(15-13-6-9-23-16(13)19-11-18-15)8-7-17(14,22)12-4-2-1-3-5-12/h1-6,9,11,14,21-22H,7-8,10H2/t14-,17-/m0/s1
InChIKeyGZAANCNTWBMFPW-YOEHRIQHSA-N
MW327.41 g/mol
LogP2.15
Rot. Bonds2

About (3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol

(3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol (PubChem CID 163307342) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is (3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol
PubChem CID163307342
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name(3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol
SMILESO[C@H]1CN(c2ncnc3sccc23)CC[C@]1(O)c1ccccc1
InChIInChI=1S/C17H17N3O2S/c21-14-10-20(15-13-6-9-23-16(13)19-11-18-15)8-7-17(14,22)12-4-2-1-3-5-12/h1-6,9,11,14,21-22H,7-8,10H2/t14-,17-/m0/s1
InChIKeyGZAANCNTWBMFPW-YOEHRIQHSA-N
XLogP2.15
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 167976709
(3S,4S)-1-(2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-4-phenylpiperidine-3,4-diol
CID 163305992
1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911
(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 9283193
2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81097789
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992
3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
CID 103725139
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
4-[3-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid
CID 64616447
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[2,3-d]pyrimidine
CID 11936596
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol?
The IUPAC name of (3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol (CID 163307342) is (3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol.
What is the SMILES notation for (3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol?
The canonical SMILES for (3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol is O[C@H]1CN(c2ncnc3sccc23)CC[C@]1(O)c1ccccc1.
What is the InChIKey of (3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol?
The InChIKey is GZAANCNTWBMFPW-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-14-10-20(15-13-6-9-23-16(13)19-11-18-15)8-7-17(14,22)12-4-2-1-3-5-12/h1-6,9,11,14,21-22H,7-8,10H2/t14-,17-/m0/s1.
What are the key properties of (3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol?
(3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol has a molecular weight of 327.41 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-phenyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3,4-diol is sourced from PubChem (CID 163307342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).