2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone

C15H18N4OS2 — CID 71939860

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
SMILESCc1cc(N)nc(SCC(=O)N2CCCC2c2ccsc2)n1
InChIInChI=1S/C15H18N4OS2/c1-10-7-13(16)18-15(17-10)22-9-14(20)19-5-2-3-12(19)11-4-6-21-8-11/h4,6-8,12H,2-3,5,9H2,1H3,(H2,16,17,18)
InChIKeyQXDSZFFCQXSATF-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.88
Rot. Bonds4

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone (PubChem CID 71939860) has the molecular formula C15H18N4OS2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
PubChem CID71939860
Molecular FormulaC15H18N4OS2
Molecular Weight334.47 g/mol
Exact Mass334.09
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
SMILESCc1cc(N)nc(SCC(=O)N2CCCC2c2ccsc2)n1
InChIInChI=1S/C15H18N4OS2/c1-10-7-13(16)18-15(17-10)22-9-14(20)19-5-2-3-12(19)11-4-6-21-8-11/h4,6-8,12H,2-3,5,9H2,1H3,(H2,16,17,18)
InChIKeyQXDSZFFCQXSATF-UHFFFAOYSA-N
XLogP2.88
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone with MolForge

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Related Compounds

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 40663109
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone
CID 51073353
(2R,3R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114715
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
1-(2-thiophen-3-ylpyrrolidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 55714601
[2-oxo-2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl] 2-amino-5-propan-2-ylbenzoate
CID 71938054
(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948058
7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
CID 54871536
methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
CID 86792913
3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one
CID 81086710
2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
CID 94440139
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone (CID 71939860) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone is Cc1cc(N)nc(SCC(=O)N2CCCC2c2ccsc2)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone?
The InChIKey is QXDSZFFCQXSATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS2/c1-10-7-13(16)18-15(17-10)22-9-14(20)19-5-2-3-12(19)11-4-6-21-8-11/h4,6-8,12H,2-3,5,9H2,1H3,(H2,16,17,18).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone has a molecular weight of 334.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 71939860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).