2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide

C11H13N6OS+ — CID 4746027

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2cccc[nH+]2)n1
InChIInChI=1S/C11H12N6OS/c12-7-5-8(13)16-11(15-7)19-6-10(18)17-9-3-1-2-4-14-9/h1-5H,6H2,(H,14,17,18)(H4,12,13,15,16)/p+1
InChIKeyDHJDLODYMAHRNO-UHFFFAOYSA-O
MW277.33 g/mol
LogP0.19
Rot. Bonds4

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide (PubChem CID 4746027) has the molecular formula C11H13N6OS+ and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide
PubChem CID4746027
Molecular FormulaC11H13N6OS+
Molecular Weight277.33 g/mol
Exact Mass277.09
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2cccc[nH+]2)n1
InChIInChI=1S/C11H12N6OS/c12-7-5-8(13)16-11(15-7)19-6-10(18)17-9-3-1-2-4-14-9/h1-5H,6H2,(H,14,17,18)(H4,12,13,15,16)/p+1
InChIKeyDHJDLODYMAHRNO-UHFFFAOYSA-O
XLogP0.19
TPSA121.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 1143775
2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 2224520
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 4805262
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 863621
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 3138497
N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 61296037
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)acetamide
CID 2708716
N-(2-amino-4-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 61297344
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 3627095
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 40663166
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 593667
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40663485

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide (CID 4746027) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide is Nc1cc(N)nc(SCC(=O)Nc2cccc[nH+]2)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide?
The InChIKey is DHJDLODYMAHRNO-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H12N6OS/c12-7-5-8(13)16-11(15-7)19-6-10(18)17-9-3-1-2-4-14-9/h1-5H,6H2,(H,14,17,18)(H4,12,13,15,16)/p+1.
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide has a molecular weight of 277.33 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyridin-1-ium-2-ylacetamide is sourced from PubChem (CID 4746027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).