2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide

C13H13Br2N5O2S — CID 5147520

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2nc(N)cc(N)n2)c(Br)cc1Br
InChIInChI=1S/C13H13Br2N5O2S/c1-22-9-3-8(6(14)2-7(9)15)18-12(21)5-23-13-19-10(16)4-11(17)20-13/h2-4H,5H2,1H3,(H,18,21)(H4,16,17,19,20)
InChIKeyPIQOKEZLRBUXPO-UHFFFAOYSA-N
MW463.16 g/mol
LogP2.91
Rot. Bonds5

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide (PubChem CID 5147520) has the molecular formula C13H13Br2N5O2S and a molecular weight of 463.16 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide
PubChem CID5147520
Molecular FormulaC13H13Br2N5O2S
Molecular Weight463.16 g/mol
Exact Mass460.92
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2nc(N)cc(N)n2)c(Br)cc1Br
InChIInChI=1S/C13H13Br2N5O2S/c1-22-9-3-8(6(14)2-7(9)15)18-12(21)5-23-13-19-10(16)4-11(17)20-13/h2-4H,5H2,1H3,(H,18,21)(H4,16,17,19,20)
InChIKeyPIQOKEZLRBUXPO-UHFFFAOYSA-N
XLogP2.91
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.16
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499
N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 1143775
N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 4645173
N-(4-bromo-2-chlorophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 1304646
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 4805262
N-(2-amino-4-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 61297344
N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 61296037
2-pyrimidin-2-ylsulfanyl-N-(3,4,5-tribromo-2-methoxyphenyl)acetamide
CID 3254971
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 18160681
2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 2224520
N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide
CID 103414030
N-(3-amino-4-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 119420214

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide (CID 5147520) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide is COc1cc(NC(=O)CSc2nc(N)cc(N)n2)c(Br)cc1Br.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide?
The InChIKey is PIQOKEZLRBUXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N5O2S/c1-22-9-3-8(6(14)2-7(9)15)18-12(21)5-23-13-19-10(16)4-11(17)20-13/h2-4H,5H2,1H3,(H,18,21)(H4,16,17,19,20).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide has a molecular weight of 463.16 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,4-dibromo-5-methoxyphenyl)acetamide is sourced from PubChem (CID 5147520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).