2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one

C12H15N3O2S — CID 136767022

IUPAC2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(COCC2CCCN2)nc2ccsc12
InChIInChI=1S/C12H15N3O2S/c16-12-11-9(3-5-18-11)14-10(15-12)7-17-6-8-2-1-4-13-8/h3,5,8,13H,1-2,4,6-7H2,(H,14,15,16)
InChIKeyJCLMXGIOCLVEMN-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.25
Rot. Bonds4

About 2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one

2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136767022) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136767022
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(COCC2CCCN2)nc2ccsc12
InChIInChI=1S/C12H15N3O2S/c16-12-11-9(3-5-18-11)14-10(15-12)7-17-6-8-2-1-4-13-8/h3,5,8,13H,1-2,4,6-7H2,(H,14,15,16)
InChIKeyJCLMXGIOCLVEMN-UHFFFAOYSA-N
XLogP1.25
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136768010
(2S)-2-(thiophen-2-ylmethoxymethyl)pyrrolidine
CID 102820124
2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135496263
2-[[3-(methylaminomethyl)cyclobutyl]oxymethyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136767061
2-[[methyl(pyrrolidin-3-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
CID 137154605
2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136811801
2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136870749
(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl (E)-but-2-enoate
CID 135690415
2-[[[(2S)-oxolan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136822029
2-[(2-cyclopropylpropylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137000182
2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135967980
2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135869253

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 136767022) is 2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]c(COCC2CCCN2)nc2ccsc12.
What is the InChIKey of 2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is JCLMXGIOCLVEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c16-12-11-9(3-5-18-11)14-10(15-12)7-17-6-8-2-1-4-13-8/h3,5,8,13H,1-2,4,6-7H2,(H,14,15,16).
What are the key properties of 2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 265.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethoxymethyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136767022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).