(3R,4R,5S)-2-(hydroxymethyl)-5-[(6-methylpyrazin-2-yl)amino]oxane-3,4-diol

C11H17N3O4 — CID 177015692

IUPAC(3R,4R,5S)-2-(hydroxymethyl)-5-[(6-methylpyrazin-2-yl)amino]oxane-3,4-diol
SMILESCc1cncc(N[C@H]2COC(CO)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C11H17N3O4/c1-6-2-12-3-9(13-6)14-7-5-18-8(4-15)11(17)10(7)16/h2-3,7-8,10-11,15-17H,4-5H2,1H3,(H,13,14)/t7-,8?,10+,11-/m0/s1
InChIKeyNTWWSOOQIFKFTO-IOQSWMPGSA-N
MW255.27 g/mol
LogP-1.32
Rot. Bonds3

About (3R,4R,5S)-2-(hydroxymethyl)-5-[(6-methylpyrazin-2-yl)amino]oxane-3,4-diol

(3R,4R,5S)-2-(hydroxymethyl)-5-[(6-methylpyrazin-2-yl)amino]oxane-3,4-diol (PubChem CID 177015692) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is (3R,4R,5S)-2-(hydroxymethyl)-5-[(6-methylpyrazin-2-yl)amino]oxane-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5S)-2-(hydroxymethyl)-5-[(6-methylpyrazin-2-yl)amino]oxane-3,4-diol
PubChem CID177015692
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name(3R,4R,5S)-2-(hydroxymethyl)-5-[(6-methylpyrazin-2-yl)amino]oxane-3,4-diol
SMILESCc1cncc(N[C@H]2COC(CO)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C11H17N3O4/c1-6-2-12-3-9(13-6)14-7-5-18-8(4-15)11(17)10(7)16/h2-3,7-8,10-11,15-17H,4-5H2,1H3,(H,13,14)/t7-,8?,10+,11-/m0/s1
InChIKeyNTWWSOOQIFKFTO-IOQSWMPGSA-N
XLogP-1.32
TPSA107.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221665
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167408590
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]formamide
CID 167221338
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221498
(2R,3R,4R,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221554
(2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221555
(2R,3R,4R,5S)-2-(methylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221558
2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 167221570
((3aR,4R,7S,7aR)-2,2-dimethyl-7-((6-(trifluoromethyl)pyrazin-2-yl)amino)tetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-4-yl)methanol
CID 167221666
(2R,3R,4R,5S)-2-[(dimethylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221691
2-[2-[2-[2-[[(3aR,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 167221731
(2R,3R,4R,5S)-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221736

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-2-(hydroxymethyl)-5-[(6-methylpyrazin-2-yl)amino]oxane-3,4-diol?
The IUPAC name of (3R,4R,5S)-2-(hydroxymethyl)-5-[(6-methylpyrazin-2-yl)amino]oxane-3,4-diol (CID 177015692) is (3R,4R,5S)-2-(hydroxymethyl)-5-[(6-methylpyrazin-2-yl)amino]oxane-3,4-diol.
What is the SMILES notation for (3R,4R,5S)-2-(hydroxymethyl)-5-[(6-methylpyrazin-2-yl)amino]oxane-3,4-diol?
The canonical SMILES for (3R,4R,5S)-2-(hydroxymethyl)-5-[(6-methylpyrazin-2-yl)amino]oxane-3,4-diol is Cc1cncc(N[C@H]2COC(CO)[C@H](O)[C@@H]2O)n1.
What is the InChIKey of (3R,4R,5S)-2-(hydroxymethyl)-5-[(6-methylpyrazin-2-yl)amino]oxane-3,4-diol?
The InChIKey is NTWWSOOQIFKFTO-IOQSWMPGSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6-2-12-3-9(13-6)14-7-5-18-8(4-15)11(17)10(7)16/h2-3,7-8,10-11,15-17H,4-5H2,1H3,(H,13,14)/t7-,8?,10+,11-/m0/s1.
What are the key properties of (3R,4R,5S)-2-(hydroxymethyl)-5-[(6-methylpyrazin-2-yl)amino]oxane-3,4-diol?
(3R,4R,5S)-2-(hydroxymethyl)-5-[(6-methylpyrazin-2-yl)amino]oxane-3,4-diol has a molecular weight of 255.27 g/mol, XLogP of -1.32, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-2-(hydroxymethyl)-5-[(6-methylpyrazin-2-yl)amino]oxane-3,4-diol is sourced from PubChem (CID 177015692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).