2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol

C22H21N3O2S — CID 135146927

IUPAC2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol
SMILESCc1c(Oc2ncnc3c(N(C)CCO)csc23)cccc1-c1ccccc1
InChIInChI=1S/C22H21N3O2S/c1-15-17(16-7-4-3-5-8-16)9-6-10-19(15)27-22-21-20(23-14-24-22)18(13-28-21)25(2)11-12-26/h3-10,13-14,26H,11-12H2,1-2H3
InChIKeyADBUKPWQAZGTIM-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.89
Rot. Bonds6

About 2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol

2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol (PubChem CID 135146927) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol
PubChem CID135146927
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol
SMILESCc1c(Oc2ncnc3c(N(C)CCO)csc23)cccc1-c1ccccc1
InChIInChI=1S/C22H21N3O2S/c1-15-17(16-7-4-3-5-8-16)9-6-10-19(15)27-22-21-20(23-14-24-22)18(13-28-21)25(2)11-12-26/h3-10,13-14,26H,11-12H2,1-2H3
InChIKeyADBUKPWQAZGTIM-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol?
The IUPAC name of 2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol (CID 135146927) is 2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol?
The canonical SMILES for 2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol is Cc1c(Oc2ncnc3c(N(C)CCO)csc23)cccc1-c1ccccc1.
What is the InChIKey of 2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol?
The InChIKey is ADBUKPWQAZGTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-15-17(16-7-4-3-5-8-16)9-6-10-19(15)27-22-21-20(23-14-24-22)18(13-28-21)25(2)11-12-26/h3-10,13-14,26H,11-12H2,1-2H3.
What are the key properties of 2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol?
2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol has a molecular weight of 391.50 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(2-methyl-3-phenylphenoxy)thieno[3,2-d]pyrimidin-7-yl]amino]ethanol is sourced from PubChem (CID 135146927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).