2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C13H13N7O2S — CID 38569230

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C13H13N7O2S/c14-9-4-10(15)20-13(19-9)23-5-11(21)16-6-1-2-7-8(3-6)18-12(22)17-7/h1-4H,5H2,(H,16,21)(H2,17,18,22)(H4,14,15,19,20)
InChIKeyOXQGQLBLJZYSEV-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.54
Rot. Bonds4

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 38569230) has the molecular formula C13H13N7O2S and a molecular weight of 331.36 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID38569230
Molecular FormulaC13H13N7O2S
Molecular Weight331.36 g/mol
Exact Mass331.09
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1
InChIInChI=1S/C13H13N7O2S/c14-9-4-10(15)20-13(19-9)23-5-11(21)16-6-1-2-7-8(3-6)18-12(22)17-7/h1-4H,5H2,(H,16,21)(H2,17,18,22)(H4,14,15,19,20)
InChIKeyOXQGQLBLJZYSEV-UHFFFAOYSA-N
XLogP0.54
TPSA155.57 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylsulfanylacetamide
CID 6459618
2-tert-butylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 34828406
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 18203573
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 8853296
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 2126238
2-(4-aminopyrazol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 61117825
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-bromophenyl)acetamide
CID 17450187
ethyl 2-[2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 25102654
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 2570978
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 9439221
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1H-indol-6-yl)acetamide
CID 19058761
2-(1-benzylimidazol-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 9114469

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 38569230) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is Nc1cc(N)nc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is OXQGQLBLJZYSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2S/c14-9-4-10(15)20-13(19-9)23-5-11(21)16-6-1-2-7-8(3-6)18-12(22)17-7/h1-4H,5H2,(H,16,21)(H2,17,18,22)(H4,14,15,19,20).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 331.36 g/mol, XLogP of 0.54, 4 rotatable bonds, 5 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-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 38569230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).