2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride

C14H20ClN5O2S — CID 137136908

IUPAC2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1nc2ccsc2c(=O)[nH]1.Cl
InChIInChI=1S/C14H19N5O2S.ClH/c1-18(9-12(20)19-5-3-15-4-6-19)8-11-16-10-2-7-22-13(10)14(21)17-11;/h2,7,15H,3-6,8-9H2,1H3,(H,16,17,21);1H
InChIKeyQMTZHADJTAQWCO-UHFFFAOYSA-N
MW357.87 g/mol
LogP0.27
Rot. Bonds4

About 2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride

2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride (PubChem CID 137136908) has the molecular formula C14H20ClN5O2S and a molecular weight of 357.87 g/mol. Its IUPAC name is 2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
PubChem CID137136908
Molecular FormulaC14H20ClN5O2S
Molecular Weight357.87 g/mol
Exact Mass357.10
IUPAC Name2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1nc2ccsc2c(=O)[nH]1.Cl
InChIInChI=1S/C14H19N5O2S.ClH/c1-18(9-12(20)19-5-3-15-4-6-19)8-11-16-10-2-7-22-13(10)14(21)17-11;/h2,7,15H,3-6,8-9H2,1H3,(H,16,17,21);1H
InChIKeyQMTZHADJTAQWCO-UHFFFAOYSA-N
XLogP0.27
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride with MolForge

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Related Compounds

2-[[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-propylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135665494
2-[[(2-hydroxy-2-phenylpropyl)-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136532006
2-[[[(2R)-2-hydroxy-2-phenylpropyl]-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136857776
2-[[[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-methylamino]methyl]-6-methyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 166692295
2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone
CID 61017410
N,2-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 137294354
2-(aminomethyl)-2-ethyl-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]butanamide;hydrochloride
CID 137032711
7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119915215
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]methanesulfonamide
CID 135992532
2-[[(2R)-2-methylpiperazin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
CID 137078252
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide
CID 136532009
(3S,4S)-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 136689820

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride (CID 137136908) is 2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride is CN(CC(=O)N1CCNCC1)Cc1nc2ccsc2c(=O)[nH]1.Cl.
What is the InChIKey of 2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride?
The InChIKey is QMTZHADJTAQWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S.ClH/c1-18(9-12(20)19-5-3-15-4-6-19)8-11-16-10-2-7-22-13(10)14(21)17-11;/h2,7,15H,3-6,8-9H2,1H3,(H,16,17,21);1H.
What are the key properties of 2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride?
2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride has a molecular weight of 357.87 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 137136908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).