2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone

C13H21N5OS — CID 3173019

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C13H21N5OS/c1-2-9-5-3-4-6-18(9)12(19)8-20-13-16-10(14)7-11(15)17-13/h7,9H,2-6,8H2,1H3,(H4,14,15,16,17)
InChIKeyUZNQPMOFAJHIET-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.52
Rot. Bonds4

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 3173019) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID3173019
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C13H21N5OS/c1-2-9-5-3-4-6-18(9)12(19)8-20-13-16-10(14)7-11(15)17-13/h7,9H,2-6,8H2,1H3,(H4,14,15,16,17)
InChIKeyUZNQPMOFAJHIET-UHFFFAOYSA-N
XLogP1.52
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Diaminopyrimidin-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 857392
2-(4-Amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 4430216
2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-1-(4-methyl-piperidin-1-yl)-ethanone
CID 646575
2-(2-Piperidin-1-yl-ethylsulfanyl)-pyrimidine-4,6-diamine
CID 649133
N-[2-(cyclohexen-1-yl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 4816593
N-[2-(cyclohexen-1-yl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 2708665
2-(4,6-Diaminopyrimidin-2-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 16305279
2-(4,6-Diaminopyrimidin-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 16322610
N-cyclooctyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 2641696
2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 652687
N,N-Diethyl-2-[(4-Amino-6-chloro-2-pyrimidinyl)thio]acetamide
CID 470480
N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 2641429

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone (CID 3173019) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)CSc1nc(N)cc(N)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is UZNQPMOFAJHIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-2-9-5-3-4-6-18(9)12(19)8-20-13-16-10(14)7-11(15)17-13/h7,9H,2-6,8H2,1H3,(H4,14,15,16,17).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 295.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3173019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).