3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one

C11H13N3OS — CID 102819743

IUPAC3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1C[C@@H]1CCCN1
InChIInChI=1S/C11H13N3OS/c15-11-10-9(3-5-16-10)13-7-14(11)6-8-2-1-4-12-8/h3,5,7-8,12H,1-2,4,6H2/t8-/m0/s1
InChIKeyLHAKJSQYGRHDTO-QMMMGPOBSA-N
MW235.31 g/mol
LogP1.21
Rot. Bonds2

About 3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one

3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 102819743) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID102819743
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1C[C@@H]1CCCN1
InChIInChI=1S/C11H13N3OS/c15-11-10-9(3-5-16-10)13-7-14(11)6-8-2-1-4-12-8/h3,5,7-8,12H,1-2,4,6H2/t8-/m0/s1
InChIKeyLHAKJSQYGRHDTO-QMMMGPOBSA-N
XLogP1.21
TPSA46.92 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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 62479778
3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 115659168
3-(2-bicyclo[2.2.1]heptanylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 116620765
5-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one
CID 112557042
8-chloro-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one
CID 75690477
3-(3-pyrrolidin-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 116620730
N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 33277929
3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111461745
3-[(E)-4-chlorobut-2-enyl]thieno[3,2-d]pyrimidin-4-one
CID 64681015
5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 126857626
3-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 39809006
5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one
CID 112557045

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one (CID 102819743) is 3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1C[C@@H]1CCCN1.
What is the InChIKey of 3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is LHAKJSQYGRHDTO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3OS/c15-11-10-9(3-5-16-10)13-7-14(11)6-8-2-1-4-12-8/h3,5,7-8,12H,1-2,4,6H2/t8-/m0/s1.
What are the key properties of 3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 235.31 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102819743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).