(2R)-2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid

C10H18N6O2S — CID 23424496

IUPAC(2R)-2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid
SMILESCN(C)c1nc(SC[C@H](N)C(=O)O)nc(N(C)C)n1
InChIInChI=1S/C10H18N6O2S/c1-15(2)8-12-9(16(3)4)14-10(13-8)19-5-6(11)7(17)18/h6H,5,11H2,1-4H3,(H,17,18)/t6-/m0/s1
InChIKeyWKBQNNWWFGYCFN-LURJTMIESA-N
MW286.36 g/mol
LogP-0.49
Rot. Bonds6

About (2R)-2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid

(2R)-2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid (PubChem CID 23424496) has the molecular formula C10H18N6O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is (2R)-2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid
PubChem CID23424496
Molecular FormulaC10H18N6O2S
Molecular Weight286.36 g/mol
Exact Mass286.12
IUPAC Name(2R)-2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid
SMILESCN(C)c1nc(SC[C@H](N)C(=O)O)nc(N(C)C)n1
InChIInChI=1S/C10H18N6O2S/c1-15(2)8-12-9(16(3)4)14-10(13-8)19-5-6(11)7(17)18/h6H,5,11H2,1-4H3,(H,17,18)/t6-/m0/s1
InChIKeyWKBQNNWWFGYCFN-LURJTMIESA-N
XLogP-0.49
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid (CID 23424496) is (2R)-2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid is CN(C)c1nc(SC[C@H](N)C(=O)O)nc(N(C)C)n1.
What is the InChIKey of (2R)-2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid?
The InChIKey is WKBQNNWWFGYCFN-LURJTMIESA-N. The full InChI is InChI=1S/C10H18N6O2S/c1-15(2)8-12-9(16(3)4)14-10(13-8)19-5-6(11)7(17)18/h6H,5,11H2,1-4H3,(H,17,18)/t6-/m0/s1.
What are the key properties of (2R)-2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid?
(2R)-2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid has a molecular weight of 286.36 g/mol, XLogP of -0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid is sourced from PubChem (CID 23424496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).