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

C22H21N3O2S — CID 95785258

IUPAC(2R)-2-(4-methoxyphenyl)-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCOc1ccc([C@H](CO)N(C)c2ncnc3sc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C22H21N3O2S/c1-25(19(13-26)15-8-10-17(27-2)11-9-15)21-18-12-20(16-6-4-3-5-7-16)28-22(18)24-14-23-21/h3-12,14,19,26H,13H2,1-2H3/t19-/m0/s1
InChIKeyTVANFZZFDGQATD-IBGZPJMESA-N
MW391.50 g/mol
LogP4.54
Rot. Bonds6

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

(2R)-2-(4-methoxyphenyl)-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 95785258) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID95785258
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name(2R)-2-(4-methoxyphenyl)-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCOc1ccc([C@H](CO)N(C)c2ncnc3sc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C22H21N3O2S/c1-25(19(13-26)15-8-10-17(27-2)11-9-15)21-18-12-20(16-6-4-3-5-7-16)28-22(18)24-14-23-21/h3-12,14,19,26H,13H2,1-2H3/t19-/m0/s1
InChIKeyTVANFZZFDGQATD-IBGZPJMESA-N
XLogP4.54
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of (2R)-2-(4-methoxyphenyl)-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 95785258) is (2R)-2-(4-methoxyphenyl)-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is COc1ccc([C@H](CO)N(C)c2ncnc3sc(-c4ccccc4)cc23)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is TVANFZZFDGQATD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-25(19(13-26)15-8-10-17(27-2)11-9-15)21-18-12-20(16-6-4-3-5-7-16)28-22(18)24-14-23-21/h3-12,14,19,26H,13H2,1-2H3/t19-/m0/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
(2R)-2-(4-methoxyphenyl)-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 391.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 95785258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).