N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

C12H18N6O2S — CID 2641429

IUPACN-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESNc1cc(N)nc(SCC(=O)NC(=O)NC2CCCC2)n1
InChIInChI=1S/C12H18N6O2S/c13-8-5-9(14)17-12(16-8)21-6-10(19)18-11(20)15-7-3-1-2-4-7/h5,7H,1-4,6H2,(H4,13,14,16,17)(H2,15,18,19,20)
InChIKeyGZLKESNNXUJBBF-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.50
Rot. Bonds4

About N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide

N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (PubChem CID 2641429) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
PubChem CID2641429
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC NameN-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
SMILESNc1cc(N)nc(SCC(=O)NC(=O)NC2CCCC2)n1
InChIInChI=1S/C12H18N6O2S/c13-8-5-9(14)17-12(16-8)21-6-10(19)18-11(20)15-7-3-1-2-4-7/h5,7H,1-4,6H2,(H4,13,14,16,17)(H2,15,18,19,20)
InChIKeyGZLKESNNXUJBBF-UHFFFAOYSA-N
XLogP0.50
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide 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

2-(4,6-Diaminopyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 3173019
2-(4,6-Diaminopyrimidin-2-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 16305279
N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2628835
N-cyclooctyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 2641696
2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 652687
N-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide
CID 4618357
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 2090262
N-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2634383
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 4317303
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 4798205
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 4831614
N-cyclohexyl-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide
CID 799437

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide (CID 2641429) is N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is Nc1cc(N)nc(SCC(=O)NC(=O)NC2CCCC2)n1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is GZLKESNNXUJBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c13-8-5-9(14)17-12(16-8)21-6-10(19)18-11(20)15-7-3-1-2-4-7/h5,7H,1-4,6H2,(H4,13,14,16,17)(H2,15,18,19,20).
What are the key properties of N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide?
N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 310.38 g/mol, XLogP of 0.50, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2641429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).