(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one

C10H16N6O2S — CID 40789334

IUPAC(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Sc1nc(N)nc(N)n1)C(=O)N1CCOCC1
InChIInChI=1S/C10H16N6O2S/c1-6(7(17)16-2-4-18-5-3-16)19-10-14-8(11)13-9(12)15-10/h6H,2-5H2,1H3,(H4,11,12,13,14,15)/t6-/m0/s1
InChIKeyMIKSEGJMMSNLNH-LURJTMIESA-N
MW284.35 g/mol
LogP-0.62
Rot. Bonds3

About (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one

(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one (PubChem CID 40789334) has the molecular formula C10H16N6O2S and a molecular weight of 284.35 g/mol. Its IUPAC name is (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
PubChem CID40789334
Molecular FormulaC10H16N6O2S
Molecular Weight284.35 g/mol
Exact Mass284.11
IUPAC Name(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Sc1nc(N)nc(N)n1)C(=O)N1CCOCC1
InChIInChI=1S/C10H16N6O2S/c1-6(7(17)16-2-4-18-5-3-16)19-10-14-8(11)13-9(12)15-10/h6H,2-5H2,1H3,(H4,11,12,13,14,15)/t6-/m0/s1
InChIKeyMIKSEGJMMSNLNH-LURJTMIESA-N
XLogP-0.62
TPSA120.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one (CID 40789334) is (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one is C[C@H](Sc1nc(N)nc(N)n1)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is MIKSEGJMMSNLNH-LURJTMIESA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-6(7(17)16-2-4-18-5-3-16)19-10-14-8(11)13-9(12)15-10/h6H,2-5H2,1H3,(H4,11,12,13,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 284.35 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 40789334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).