2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide

C10H11N7OS — CID 2168902

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2ncccn2)n1
InChIInChI=1S/C10H11N7OS/c11-6-4-7(12)16-10(15-6)19-5-8(18)17-9-13-2-1-3-14-9/h1-4H,5H2,(H4,11,12,15,16)(H,13,14,17,18)
InChIKeyCAOYNGRNPWJVSN-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.16
Rot. Bonds4

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide (PubChem CID 2168902) has the molecular formula C10H11N7OS and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide
PubChem CID2168902
Molecular FormulaC10H11N7OS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide
SMILESNc1cc(N)nc(SCC(=O)Nc2ncccn2)n1
InChIInChI=1S/C10H11N7OS/c11-6-4-7(12)16-10(15-6)19-5-8(18)17-9-13-2-1-3-14-9/h1-4H,5H2,(H4,11,12,15,16)(H,13,14,17,18)
InChIKeyCAOYNGRNPWJVSN-UHFFFAOYSA-N
XLogP0.16
TPSA132.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide (CID 2168902) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide is Nc1cc(N)nc(SCC(=O)Nc2ncccn2)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
The InChIKey is CAOYNGRNPWJVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7OS/c11-6-4-7(12)16-10(15-6)19-5-8(18)17-9-13-2-1-3-14-9/h1-4H,5H2,(H4,11,12,15,16)(H,13,14,17,18).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide has a molecular weight of 277.31 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 2168902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).