N-(5-bromo-2-pyridinyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

C11H11BrN6OS — CID 2928730

IUPACN-(5-bromo-2-pyridinyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2ccc(Br)cn2)n1
InChIInChI=1S/C11H11BrN6OS/c12-6-1-2-9(15-4-6)18-10(19)5-20-11-16-7(13)3-8(14)17-11/h1-4H,5H2,(H,15,18,19)(H4,13,14,16,17)
InChIKeyQPSSUOVNSVIKTJ-UHFFFAOYSA-N
MW355.22 g/mol
LogP1.53
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

N-(5-bromo-2-pyridinyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (PubChem CID 2928730) has the molecular formula C11H11BrN6OS and a molecular weight of 355.22 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
PubChem CID2928730
Molecular FormulaC11H11BrN6OS
Molecular Weight355.22 g/mol
Exact Mass353.99
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2ccc(Br)cn2)n1
InChIInChI=1S/C11H11BrN6OS/c12-6-1-2-9(15-4-6)18-10(19)5-20-11-16-7(13)3-8(14)17-11/h1-4H,5H2,(H,15,18,19)(H4,13,14,16,17)
InChIKeyQPSSUOVNSVIKTJ-UHFFFAOYSA-N
XLogP1.53
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (CID 2928730) is N-(5-bromo-2-pyridinyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is Nc1cc(N)nc(SCC(=O)Nc2ccc(Br)cn2)n1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is QPSSUOVNSVIKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN6OS/c12-6-1-2-9(15-4-6)18-10(19)5-20-11-16-7(13)3-8(14)17-11/h1-4H,5H2,(H,15,18,19)(H4,13,14,16,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
N-(5-bromo-2-pyridinyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 355.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2928730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).