2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol

C22H22N4OS — CID 67382200

IUPAC2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol
SMILESCc1cccc(CNc2nc(CCO)nc3sc(C)c(-c4ccccc4)c23)n1
InChIInChI=1S/C22H22N4OS/c1-14-7-6-10-17(24-14)13-23-21-20-19(16-8-4-3-5-9-16)15(2)28-22(20)26-18(25-21)11-12-27/h3-10,27H,11-13H2,1-2H3,(H,23,25,26)
InChIKeyFZNAGLWECMUOSS-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.52
Rot. Bonds6

About 2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol

2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol (PubChem CID 67382200) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol
PubChem CID67382200
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol
SMILESCc1cccc(CNc2nc(CCO)nc3sc(C)c(-c4ccccc4)c23)n1
InChIInChI=1S/C22H22N4OS/c1-14-7-6-10-17(24-14)13-23-21-20-19(16-8-4-3-5-9-16)15(2)28-22(20)26-18(25-21)11-12-27/h3-10,27H,11-13H2,1-2H3,(H,23,25,26)
InChIKeyFZNAGLWECMUOSS-UHFFFAOYSA-N
XLogP4.52
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol?
The IUPAC name of 2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol (CID 67382200) is 2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol?
The canonical SMILES for 2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol is Cc1cccc(CNc2nc(CCO)nc3sc(C)c(-c4ccccc4)c23)n1.
What is the InChIKey of 2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol?
The InChIKey is FZNAGLWECMUOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-14-7-6-10-17(24-14)13-23-21-20-19(16-8-4-3-5-9-16)15(2)28-22(20)26-18(25-21)11-12-27/h3-10,27H,11-13H2,1-2H3,(H,23,25,26).
What are the key properties of 2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol?
2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol has a molecular weight of 390.51 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 67382200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).