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

C14H23N3O4 — CID 175626449

IUPAC(2R,3R,4R,5S)-5-[(6-methylpyrazin-2-yl)amino]-2-(propan-2-yloxymethyl)oxane-3,4-diol
SMILESCc1cncc(N[C@H]2CO[C@H](COC(C)C)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C14H23N3O4/c1-8(2)20-7-11-14(19)13(18)10(6-21-11)17-12-5-15-4-9(3)16-12/h4-5,8,10-11,13-14,18-19H,6-7H2,1-3H3,(H,16,17)/t10-,11+,13+,14-/m0/s1
InChIKeyXEIUFARSSZIBRD-UNJBNNCHSA-N
MW297.36 g/mol
LogP0.11
Rot. Bonds5

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

(2R,3R,4R,5S)-5-[(6-methylpyrazin-2-yl)amino]-2-(propan-2-yloxymethyl)oxane-3,4-diol (PubChem CID 175626449) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-[(6-methylpyrazin-2-yl)amino]-2-(propan-2-yloxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-[(6-methylpyrazin-2-yl)amino]-2-(propan-2-yloxymethyl)oxane-3,4-diol
PubChem CID175626449
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name(2R,3R,4R,5S)-5-[(6-methylpyrazin-2-yl)amino]-2-(propan-2-yloxymethyl)oxane-3,4-diol
SMILESCc1cncc(N[C@H]2CO[C@H](COC(C)C)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C14H23N3O4/c1-8(2)20-7-11-14(19)13(18)10(6-21-11)17-12-5-15-4-9(3)16-12/h4-5,8,10-11,13-14,18-19H,6-7H2,1-3H3,(H,16,17)/t10-,11+,13+,14-/m0/s1
InChIKeyXEIUFARSSZIBRD-UNJBNNCHSA-N
XLogP0.11
TPSA96.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-[(6-methylpyrazin-2-yl)amino]-2-(propan-2-yloxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-5-[(6-methylpyrazin-2-yl)amino]-2-(propan-2-yloxymethyl)oxane-3,4-diol (CID 175626449) is (2R,3R,4R,5S)-5-[(6-methylpyrazin-2-yl)amino]-2-(propan-2-yloxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-5-[(6-methylpyrazin-2-yl)amino]-2-(propan-2-yloxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-5-[(6-methylpyrazin-2-yl)amino]-2-(propan-2-yloxymethyl)oxane-3,4-diol is Cc1cncc(N[C@H]2CO[C@H](COC(C)C)[C@H](O)[C@@H]2O)n1.
What is the InChIKey of (2R,3R,4R,5S)-5-[(6-methylpyrazin-2-yl)amino]-2-(propan-2-yloxymethyl)oxane-3,4-diol?
The InChIKey is XEIUFARSSZIBRD-UNJBNNCHSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-8(2)20-7-11-14(19)13(18)10(6-21-11)17-12-5-15-4-9(3)16-12/h4-5,8,10-11,13-14,18-19H,6-7H2,1-3H3,(H,16,17)/t10-,11+,13+,14-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-[(6-methylpyrazin-2-yl)amino]-2-(propan-2-yloxymethyl)oxane-3,4-diol?
(2R,3R,4R,5S)-5-[(6-methylpyrazin-2-yl)amino]-2-(propan-2-yloxymethyl)oxane-3,4-diol has a molecular weight of 297.36 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-[(6-methylpyrazin-2-yl)amino]-2-(propan-2-yloxymethyl)oxane-3,4-diol is sourced from PubChem (CID 175626449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).