(2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol

C21H19N3O2S — CID 78319175

IUPAC(2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
SMILESCOc1ccccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2s1
InChIInChI=1S/C21H19N3O2S/c1-26-18-10-6-5-9-15(18)19-11-16-20(22-13-23-21(16)27-19)24-17(12-25)14-7-3-2-4-8-14/h2-11,13,17,25H,12H2,1H3,(H,22,23,24)/t17-/m1/s1
InChIKeyZDHNGLCAMDHDDN-QGZVFWFLSA-N
MW377.47 g/mol
LogP4.51
Rot. Bonds6

About (2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol

(2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol (PubChem CID 78319175) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is (2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
PubChem CID78319175
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name(2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
SMILESCOc1ccccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2s1
InChIInChI=1S/C21H19N3O2S/c1-26-18-10-6-5-9-15(18)19-11-16-20(22-13-23-21(16)27-19)24-17(12-25)14-7-3-2-4-8-14/h2-11,13,17,25H,12H2,1H3,(H,22,23,24)/t17-/m1/s1
InChIKeyZDHNGLCAMDHDDN-QGZVFWFLSA-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 (2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol (CID 78319175) is (2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol is COc1ccccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2s1.
What is the InChIKey of (2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol?
The InChIKey is ZDHNGLCAMDHDDN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-26-18-10-6-5-9-15(18)19-11-16-20(22-13-23-21(16)27-19)24-17(12-25)14-7-3-2-4-8-14/h2-11,13,17,25H,12H2,1H3,(H,22,23,24)/t17-/m1/s1.
What are the key properties of (2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol?
(2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol 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 (2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol is sourced from PubChem (CID 78319175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).