7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium

C14H18N5O3WY- — CID 58645398

IUPAC7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium
SMILES[CH2-]C1O[C@@H](n2cc([N+](=O)[O-])c3c(N)ncnc32)C(C)(C)C1C.[W].[Y]
InChIInChI=1S/C14H18N5O3.W.Y/c1-7-8(2)22-13(14(7,3)4)18-5-9(19(20)21)10-11(15)16-6-17-12(10)18;;/h5-8,13H,2H2,1,3-4H3,(H2,15,16,17);;/q-1;;/t7?,8?,13-;;/m1../s1
InChIKeyFRAUKFIUOVJVQS-JSLDKYNLSA-N
MW577.08 g/mol
LogP2.31
Rot. Bonds2

About 7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium

7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium (PubChem CID 58645398) has the molecular formula C14H18N5O3WY- and a molecular weight of 577.08 g/mol. Its IUPAC name is 7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium.

Molecular Properties

Compound Name7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium
PubChem CID58645398
Molecular FormulaC14H18N5O3WY-
Molecular Weight577.08 g/mol
Exact Mass577.00
IUPAC Name7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium
SMILES[CH2-]C1O[C@@H](n2cc([N+](=O)[O-])c3c(N)ncnc32)C(C)(C)C1C.[W].[Y]
InChIInChI=1S/C14H18N5O3.W.Y/c1-7-8(2)22-13(14(7,3)4)18-5-9(19(20)21)10-11(15)16-6-17-12(10)18;;/h5-8,13H,2H2,1,3-4H3,(H2,15,16,17);;/q-1;;/t7?,8?,13-;;/m1../s1
InChIKeyFRAUKFIUOVJVQS-JSLDKYNLSA-N
XLogP2.31
TPSA109.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.08
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium?
The IUPAC name of 7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium (CID 58645398) is 7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium.
What is the SMILES notation for 7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium?
The canonical SMILES for 7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium is [CH2-]C1O[C@@H](n2cc([N+](=O)[O-])c3c(N)ncnc32)C(C)(C)C1C.[W].[Y].
What is the InChIKey of 7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium?
The InChIKey is FRAUKFIUOVJVQS-JSLDKYNLSA-N. The full InChI is InChI=1S/C14H18N5O3.W.Y/c1-7-8(2)22-13(14(7,3)4)18-5-9(19(20)21)10-11(15)16-6-17-12(10)18;;/h5-8,13H,2H2,1,3-4H3,(H2,15,16,17);;/q-1;;/t7?,8?,13-;;/m1../s1.
What are the key properties of 7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium?
7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium has a molecular weight of 577.08 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-5-methanidyl-3,3,4-trimethyloxolan-2-yl]-5-nitropyrrolo[2,3-d]pyrimidin-4-amine;tungsten;yttrium is sourced from PubChem (CID 58645398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).