[(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol

C9H15N5O3 — CID 88887092

IUPAC[(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol
SMILESNc1ncnc(N[C@H]2CC[C@@H](CO)O2)c1NO
InChIInChI=1S/C9H15N5O3/c10-8-7(14-16)9(12-4-11-8)13-6-2-1-5(3-15)17-6/h4-6,14-16H,1-3H2,(H3,10,11,12,13)/t5-,6+/m0/s1
InChIKeyFTCKDQNRPOSBDJ-NTSWFWBYSA-N
MW241.25 g/mol
LogP-0.23
Rot. Bonds4

About [(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol

[(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol (PubChem CID 88887092) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is [(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol
PubChem CID88887092
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name[(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol
SMILESNc1ncnc(N[C@H]2CC[C@@H](CO)O2)c1NO
InChIInChI=1S/C9H15N5O3/c10-8-7(14-16)9(12-4-11-8)13-6-2-1-5(3-15)17-6/h4-6,14-16H,1-3H2,(H3,10,11,12,13)/t5-,6+/m0/s1
InChIKeyFTCKDQNRPOSBDJ-NTSWFWBYSA-N
XLogP-0.23
TPSA125.55 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol (CID 88887092) is [(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol is Nc1ncnc(N[C@H]2CC[C@@H](CO)O2)c1NO.
What is the InChIKey of [(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol?
The InChIKey is FTCKDQNRPOSBDJ-NTSWFWBYSA-N. The full InChI is InChI=1S/C9H15N5O3/c10-8-7(14-16)9(12-4-11-8)13-6-2-1-5(3-15)17-6/h4-6,14-16H,1-3H2,(H3,10,11,12,13)/t5-,6+/m0/s1.
What are the key properties of [(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol?
[(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol has a molecular weight of 241.25 g/mol, XLogP of -0.23, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-[[6-amino-5-(hydroxyamino)pyrimidin-4-yl]amino]oxolan-2-yl]methanol is sourced from PubChem (CID 88887092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).