(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C10H13N7O2S — CID 8985952

IUPAC(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Sc2nc(N)nc(N)n2)no1
InChIInChI=1S/C10H13N7O2S/c1-4-3-6(17-19-4)13-7(18)5(2)20-10-15-8(11)14-9(12)16-10/h3,5H,1-2H3,(H,13,17,18)(H4,11,12,14,15,16)/t5-/m1/s1
InChIKeyKXIQMRJVHQRXHU-RXMQYKEDSA-N
MW295.33 g/mol
LogP0.45
Rot. Bonds4

About (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 8985952) has the molecular formula C10H13N7O2S and a molecular weight of 295.33 g/mol. Its IUPAC name is (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID8985952
Molecular FormulaC10H13N7O2S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC Name(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Sc2nc(N)nc(N)n2)no1
InChIInChI=1S/C10H13N7O2S/c1-4-3-6(17-19-4)13-7(18)5(2)20-10-15-8(11)14-9(12)16-10/h3,5H,1-2H3,(H,13,17,18)(H4,11,12,14,15,16)/t5-/m1/s1
InChIKeyKXIQMRJVHQRXHU-RXMQYKEDSA-N
XLogP0.45
TPSA145.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
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CID 30970931
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 8985952) is (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)Sc2nc(N)nc(N)n2)no1.
What is the InChIKey of (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is KXIQMRJVHQRXHU-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H13N7O2S/c1-4-3-6(17-19-4)13-7(18)5(2)20-10-15-8(11)14-9(12)16-10/h3,5H,1-2H3,(H,13,17,18)(H4,11,12,14,15,16)/t5-/m1/s1.
What are the key properties of (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 295.33 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 8985952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).