2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone

C14H22N4OS — CID 51073353

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone
SMILESCc1cc(N)nc(SCC(=O)N2CCCCCCC2)n1
InChIInChI=1S/C14H22N4OS/c1-11-9-12(15)17-14(16-11)20-10-13(19)18-7-5-3-2-4-6-8-18/h9H,2-8,10H2,1H3,(H2,15,16,17)
InChIKeyZIQOWAYATLBAAZ-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.25
Rot. Bonds3

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone (PubChem CID 51073353) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone
PubChem CID51073353
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone
SMILESCc1cc(N)nc(SCC(=O)N2CCCCCCC2)n1
InChIInChI=1S/C14H22N4OS/c1-11-9-12(15)17-14(16-11)20-10-13(19)18-7-5-3-2-4-6-8-18/h9H,2-8,10H2,1H3,(H2,15,16,17)
InChIKeyZIQOWAYATLBAAZ-UHFFFAOYSA-N
XLogP2.25
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone (CID 51073353) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone is Cc1cc(N)nc(SCC(=O)N2CCCCCCC2)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone?
The InChIKey is ZIQOWAYATLBAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-11-9-12(15)17-14(16-11)20-10-13(19)18-7-5-3-2-4-6-8-18/h9H,2-8,10H2,1H3,(H2,15,16,17).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone has a molecular weight of 294.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone is sourced from PubChem (CID 51073353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).