[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol

C17H26N4O2S — CID 70730327

IUPAC[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCOCCN(C)C[C@@H]1CN(c2ncnc3c(C)csc23)C[C@@H]1CO
InChIInChI=1S/C17H26N4O2S/c1-12-10-24-16-15(12)18-11-19-17(16)21-7-13(14(8-21)9-22)6-20(2)4-5-23-3/h10-11,13-14,22H,4-9H2,1-3H3/t13-,14-/m1/s1
InChIKeyOVHVFKKHLFJJEP-ZIAGYGMSSA-N
MW350.49 g/mol
LogP1.62
Rot. Bonds7

About [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol

[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 70730327) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
PubChem CID70730327
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCOCCN(C)C[C@@H]1CN(c2ncnc3c(C)csc23)C[C@@H]1CO
InChIInChI=1S/C17H26N4O2S/c1-12-10-24-16-15(12)18-11-19-17(16)21-7-13(14(8-21)9-22)6-20(2)4-5-23-3/h10-11,13-14,22H,4-9H2,1-3H3/t13-,14-/m1/s1
InChIKeyOVHVFKKHLFJJEP-ZIAGYGMSSA-N
XLogP1.62
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol 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 [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol (CID 70730327) is [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol is COCCN(C)C[C@@H]1CN(c2ncnc3c(C)csc23)C[C@@H]1CO.
What is the InChIKey of [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is OVHVFKKHLFJJEP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-12-10-24-16-15(12)18-11-19-17(16)21-7-13(14(8-21)9-22)6-20(2)4-5-23-3/h10-11,13-14,22H,4-9H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol?
[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 350.49 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70730327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).