2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C11H17N5O2S — CID 863763

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESNc1cc(N)nc(SCC(=O)NC[C@@H]2CCCO2)n1
InChIInChI=1S/C11H17N5O2S/c12-8-4-9(13)16-11(15-8)19-6-10(17)14-5-7-2-1-3-18-7/h4,7H,1-3,5-6H2,(H,14,17)(H4,12,13,15,16)/t7-/m0/s1
InChIKeyANSIKCDVTLBCLR-ZETCQYMHSA-N
MW283.36 g/mol
LogP0.03
Rot. Bonds5

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 863763) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID863763
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESNc1cc(N)nc(SCC(=O)NC[C@@H]2CCCO2)n1
InChIInChI=1S/C11H17N5O2S/c12-8-4-9(13)16-11(15-8)19-6-10(17)14-5-7-2-1-3-18-7/h4,7H,1-3,5-6H2,(H,14,17)(H4,12,13,15,16)/t7-/m0/s1
InChIKeyANSIKCDVTLBCLR-ZETCQYMHSA-N
XLogP0.03
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 863763) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Nc1cc(N)nc(SCC(=O)NC[C@@H]2CCCO2)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is ANSIKCDVTLBCLR-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17N5O2S/c12-8-4-9(13)16-11(15-8)19-6-10(17)14-5-7-2-1-3-18-7/h4,7H,1-3,5-6H2,(H,14,17)(H4,12,13,15,16)/t7-/m0/s1.
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 283.36 g/mol, XLogP of 0.03, 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-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 863763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).