(2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

C21H19N3O2S — CID 176515272

IUPAC(2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCOc1ccc([C@H](CO)Nc2ncnc3sc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C21H19N3O2S/c1-26-16-9-7-14(8-10-16)18(12-25)24-20-17-11-19(15-5-3-2-4-6-15)27-21(17)23-13-22-20/h2-11,13,18,25H,12H2,1H3,(H,22,23,24)/t18-/m0/s1
InChIKeyKJCXVKHFCSNAPK-SFHVURJKSA-N
MW377.47 g/mol
LogP4.51
Rot. Bonds6

About (2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

(2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 176515272) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID176515272
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name(2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCOc1ccc([C@H](CO)Nc2ncnc3sc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C21H19N3O2S/c1-26-16-9-7-14(8-10-16)18(12-25)24-20-17-11-19(15-5-3-2-4-6-15)27-21(17)23-13-22-20/h2-11,13,18,25H,12H2,1H3,(H,22,23,24)/t18-/m0/s1
InChIKeyKJCXVKHFCSNAPK-SFHVURJKSA-N
XLogP4.51
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of (2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 176515272) is (2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is COc1ccc([C@H](CO)Nc2ncnc3sc(-c4ccccc4)cc23)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is KJCXVKHFCSNAPK-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-26-16-9-7-14(8-10-16)18(12-25)24-20-17-11-19(15-5-3-2-4-6-15)27-21(17)23-13-22-20/h2-11,13,18,25H,12H2,1H3,(H,22,23,24)/t18-/m0/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
(2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 377.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 176515272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).