4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyhydrazinyl)-4-methyloxolan-2-yl]pyrimidin-2-one

C11H19N5O5 — CID 70973146

IUPAC4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyhydrazinyl)-4-methyloxolan-2-yl]pyrimidin-2-one
SMILESCONNC1(C)C(O)[C@H](n2ccc(N)nc2=O)O[C@@H]1CO
InChIInChI=1S/C11H19N5O5/c1-11(14-15-20-2)6(5-17)21-9(8(11)18)16-4-3-7(12)13-10(16)19/h3-4,6,8-9,14-15,17-18H,5H2,1-2H3,(H2,12,13,19)/t6-,8?,9-,11?/m1/s1
InChIKeyYSMMFCHWWKRMLL-JPRQMENOSA-N
MW301.30 g/mol
LogP-2.51
Rot. Bonds5

About 4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyhydrazinyl)-4-methyloxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyhydrazinyl)-4-methyloxolan-2-yl]pyrimidin-2-one (PubChem CID 70973146) has the molecular formula C11H19N5O5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyhydrazinyl)-4-methyloxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyhydrazinyl)-4-methyloxolan-2-yl]pyrimidin-2-one
PubChem CID70973146
Molecular FormulaC11H19N5O5
Molecular Weight301.30 g/mol
Exact Mass301.14
IUPAC Name4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyhydrazinyl)-4-methyloxolan-2-yl]pyrimidin-2-one
SMILESCONNC1(C)C(O)[C@H](n2ccc(N)nc2=O)O[C@@H]1CO
InChIInChI=1S/C11H19N5O5/c1-11(14-15-20-2)6(5-17)21-9(8(11)18)16-4-3-7(12)13-10(16)19/h3-4,6,8-9,14-15,17-18H,5H2,1-2H3,(H2,12,13,19)/t6-,8?,9-,11?/m1/s1
InChIKeyYSMMFCHWWKRMLL-JPRQMENOSA-N
XLogP-2.51
TPSA143.89 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-2.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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 4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyhydrazinyl)-4-methyloxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyhydrazinyl)-4-methyloxolan-2-yl]pyrimidin-2-one (CID 70973146) is 4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyhydrazinyl)-4-methyloxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyhydrazinyl)-4-methyloxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyhydrazinyl)-4-methyloxolan-2-yl]pyrimidin-2-one is CONNC1(C)C(O)[C@H](n2ccc(N)nc2=O)O[C@@H]1CO.
What is the InChIKey of 4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyhydrazinyl)-4-methyloxolan-2-yl]pyrimidin-2-one?
The InChIKey is YSMMFCHWWKRMLL-JPRQMENOSA-N. The full InChI is InChI=1S/C11H19N5O5/c1-11(14-15-20-2)6(5-17)21-9(8(11)18)16-4-3-7(12)13-10(16)19/h3-4,6,8-9,14-15,17-18H,5H2,1-2H3,(H2,12,13,19)/t6-,8?,9-,11?/m1/s1.
What are the key properties of 4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyhydrazinyl)-4-methyloxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyhydrazinyl)-4-methyloxolan-2-yl]pyrimidin-2-one has a molecular weight of 301.30 g/mol, XLogP of -2.51, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-(2-methoxyhydrazinyl)-4-methyloxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 70973146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).