N-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

C12H19N5OS — CID 799437

IUPACN-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESNc1cc(N)nc(SCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C12H19N5OS/c13-9-6-10(14)17-12(16-9)19-7-11(18)15-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,15,18)(H4,13,14,16,17)
InChIKeyQMGXWQDPXHDCEV-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.18
Rot. Bonds4

About N-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

N-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (PubChem CID 799437) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
PubChem CID799437
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC NameN-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESNc1cc(N)nc(SCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C12H19N5OS/c13-9-6-10(14)17-12(16-9)19-7-11(18)15-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,15,18)(H4,13,14,16,17)
InChIKeyQMGXWQDPXHDCEV-UHFFFAOYSA-N
XLogP1.18
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.18
H-Bond Donors ≤ 53
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
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-ethylpiperidin-1-yl)ethanone
CID 3173019
2-(4,6-Diaminopyrimidin-2-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 16305279
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-cyclohexyl-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 711869
N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 2641429
N-[2-[6-(propan-2-ylamino)pyrimidin-4-yl]sulfanylethyl]acetamide
CID 172435656

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (CID 799437) is N-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is Nc1cc(N)nc(SCC(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is QMGXWQDPXHDCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c13-9-6-10(14)17-12(16-9)19-7-11(18)15-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,15,18)(H4,13,14,16,17).
What are the key properties of N-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
N-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 281.38 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 799437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).