[(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol

C11H13N3OS — CID 90958967

IUPAC[(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1ncc2sccc2n1
InChIInChI=1S/C11H13N3OS/c15-7-8-2-1-4-14(8)11-12-6-10-9(13-11)3-5-16-10/h3,5-6,8,15H,1-2,4,7H2/t8-/m1/s1
InChIKeyWHGOVFRYCHUCRH-MRVPVSSYSA-N
MW235.31 g/mol
LogP1.65
Rot. Bonds2

About [(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol

[(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol (PubChem CID 90958967) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is [(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol
PubChem CID90958967
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name[(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1ncc2sccc2n1
InChIInChI=1S/C11H13N3OS/c15-7-8-2-1-4-14(8)11-12-6-10-9(13-11)3-5-16-10/h3,5-6,8,15H,1-2,4,7H2/t8-/m1/s1
InChIKeyWHGOVFRYCHUCRH-MRVPVSSYSA-N
XLogP1.65
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 97044430
[1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 83184365
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 23541154
[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 113388101
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 167808639
[1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 112750454
[(2R)-1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methanol
CID 97169521
[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 155975322
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-(pyrimidin-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 23541156
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylsulfanylpyrimidine-5-carboxylic acid
CID 22665575
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol
CID 106998436
[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol
CID 116797534

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol (CID 90958967) is [(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol is OC[C@H]1CCCN1c1ncc2sccc2n1.
What is the InChIKey of [(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol?
The InChIKey is WHGOVFRYCHUCRH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13N3OS/c15-7-8-2-1-4-14(8)11-12-6-10-9(13-11)3-5-16-10/h3,5-6,8,15H,1-2,4,7H2/t8-/m1/s1.
What are the key properties of [(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol?
[(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol has a molecular weight of 235.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 90958967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).