2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium

C7H7N4OY- — CID 58122992

IUPAC2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium
SMILES[CH2-]n1ccc2c(=O)[nH]c(N)nc21.[Y]
InChIInChI=1S/C7H7N4O.Y/c1-11-3-2-4-5(11)9-7(8)10-6(4)12;/h2-3H,1H2,(H3,8,9,10,12);/q-1;
InChIKeyBCMBGOOIYBCNIP-UHFFFAOYSA-N
MW252.07 g/mol
LogP-0.06
Rot. Bonds

About 2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium

2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium (PubChem CID 58122992) has the molecular formula C7H7N4OY- and a molecular weight of 252.07 g/mol. Its IUPAC name is 2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium.

Molecular Properties

Compound Name2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium
PubChem CID58122992
Molecular FormulaC7H7N4OY-
Molecular Weight252.07 g/mol
Exact Mass251.97
IUPAC Name2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium
SMILES[CH2-]n1ccc2c(=O)[nH]c(N)nc21.[Y]
InChIInChI=1S/C7H7N4O.Y/c1-11-3-2-4-5(11)9-7(8)10-6(4)12;/h2-3H,1H2,(H3,8,9,10,12);/q-1;
InChIKeyBCMBGOOIYBCNIP-UHFFFAOYSA-N
XLogP-0.06
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 142932958
2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135475516
2-amino-7-[(2S,3R,4R,5S)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135546398
2-amino-7-[(2S,3S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135506530
2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 142992937
2-amino-7-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 144683644
2-amino-7-[(1S,2R,3R)-1-fluoro-2,4-dihydroxy-3-methoxybutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137213650
2-amino-7-[(2R,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 144683681
2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 169060191
2-amino-3H-furo[2,3-d]pyrimidin-4-one
CID 13302347
2-amino-3H-quinazolin-4-one;methanedithioic acid
CID 175778802
2-amino-9-methyl-1H-purin-6-one;2-amino-1-methylpyrimidin-4-one;ethane
CID 142113883

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium?
The IUPAC name of 2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium (CID 58122992) is 2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium.
What is the SMILES notation for 2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium?
The canonical SMILES for 2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium is [CH2-]n1ccc2c(=O)[nH]c(N)nc21.[Y].
What is the InChIKey of 2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium?
The InChIKey is BCMBGOOIYBCNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N4O.Y/c1-11-3-2-4-5(11)9-7(8)10-6(4)12;/h2-3H,1H2,(H3,8,9,10,12);/q-1;.
What are the key properties of 2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium?
2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium has a molecular weight of 252.07 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium is sourced from PubChem (CID 58122992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).