5-benzyl-4-(hydroxyamino)-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

C16H19N3O5 — CID 91059486

IUPAC5-benzyl-4-(hydroxyamino)-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESO=c1nc(NO)c(Cc2ccccc2)cn1[C@@H]1O[C@H](CO)CC1O
InChIInChI=1S/C16H19N3O5/c20-9-12-7-13(21)15(24-12)19-8-11(14(18-23)17-16(19)22)6-10-4-2-1-3-5-10/h1-5,8,12-13,15,20-21,23H,6-7,9H2,(H,17,18,22)/t12-,13?,15+/m0/s1
InChIKeyFZYQSFANDZVZBS-RMTCENKZSA-N
MW333.34 g/mol
LogP0.28
Rot. Bonds5

About 5-benzyl-4-(hydroxyamino)-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

5-benzyl-4-(hydroxyamino)-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 91059486) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-benzyl-4-(hydroxyamino)-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name5-benzyl-4-(hydroxyamino)-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID91059486
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name5-benzyl-4-(hydroxyamino)-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESO=c1nc(NO)c(Cc2ccccc2)cn1[C@@H]1O[C@H](CO)CC1O
InChIInChI=1S/C16H19N3O5/c20-9-12-7-13(21)15(24-12)19-8-11(14(18-23)17-16(19)22)6-10-4-2-1-3-5-10/h1-5,8,12-13,15,20-21,23H,6-7,9H2,(H,17,18,22)/t12-,13?,15+/m0/s1
InChIKeyFZYQSFANDZVZBS-RMTCENKZSA-N
XLogP0.28
TPSA116.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.28
H-Bond Donors ≤ 54
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 5-benzyl-4-(hydroxyamino)-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 5-benzyl-4-(hydroxyamino)-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 91059486) is 5-benzyl-4-(hydroxyamino)-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 5-benzyl-4-(hydroxyamino)-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 5-benzyl-4-(hydroxyamino)-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is O=c1nc(NO)c(Cc2ccccc2)cn1[C@@H]1O[C@H](CO)CC1O.
What is the InChIKey of 5-benzyl-4-(hydroxyamino)-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is FZYQSFANDZVZBS-RMTCENKZSA-N. The full InChI is InChI=1S/C16H19N3O5/c20-9-12-7-13(21)15(24-12)19-8-11(14(18-23)17-16(19)22)6-10-4-2-1-3-5-10/h1-5,8,12-13,15,20-21,23H,6-7,9H2,(H,17,18,22)/t12-,13?,15+/m0/s1.
What are the key properties of 5-benzyl-4-(hydroxyamino)-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
5-benzyl-4-(hydroxyamino)-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 333.34 g/mol, XLogP of 0.28, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(hydroxyamino)-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 91059486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).