[(2S)-1-[4-[(1-phenylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol

C20H20N6OS — CID 137363215

IUPAC[(2S)-1-[4-[(1-phenylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccccc3)cn2)c2ccsc2n1
InChIInChI=1S/C20H20N6OS/c27-12-15-7-4-9-26(15)20-23-18(16-8-10-28-19(16)24-20)22-17-11-25(13-21-17)14-5-2-1-3-6-14/h1-3,5-6,8,10-11,13,15,27H,4,7,9,12H2,(H,22,23,24)/t15-/m0/s1
InChIKeyCJWIZPIGRWGBSW-HNNXBMFYSA-N
MW392.49 g/mol
LogP3.58
Rot. Bonds5

About [(2S)-1-[4-[(1-phenylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[4-[(1-phenylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 137363215) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is [(2S)-1-[4-[(1-phenylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[4-[(1-phenylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID137363215
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC Name[(2S)-1-[4-[(1-phenylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccccc3)cn2)c2ccsc2n1
InChIInChI=1S/C20H20N6OS/c27-12-15-7-4-9-26(15)20-23-18(16-8-10-28-19(16)24-20)22-17-11-25(13-21-17)14-5-2-1-3-6-14/h1-3,5-6,8,10-11,13,15,27H,4,7,9,12H2,(H,22,23,24)/t15-/m0/s1
InChIKeyCJWIZPIGRWGBSW-HNNXBMFYSA-N
XLogP3.58
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-[(1-phenylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[4-[(1-phenylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 137363215) is [(2S)-1-[4-[(1-phenylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[4-[(1-phenylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[4-[(1-phenylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccccc3)cn2)c2ccsc2n1.
What is the InChIKey of [(2S)-1-[4-[(1-phenylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is CJWIZPIGRWGBSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N6OS/c27-12-15-7-4-9-26(15)20-23-18(16-8-10-28-19(16)24-20)22-17-11-25(13-21-17)14-5-2-1-3-6-14/h1-3,5-6,8,10-11,13,15,27H,4,7,9,12H2,(H,22,23,24)/t15-/m0/s1.
What are the key properties of [(2S)-1-[4-[(1-phenylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[4-[(1-phenylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 392.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-[(1-phenylimidazol-4-yl)amino]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 137363215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).