6-amino-3-methyl-2H-pyrimidin-2-id-4-one;carbanide;yttrium

C6H9N3OY-2 — CID 59987591

IUPAC6-amino-3-methyl-2H-pyrimidin-2-id-4-one;carbanide;yttrium
SMILESCn1[c-]nc(N)cc1=O.[CH3-].[Y]
InChIInChI=1S/C5H6N3O.CH3.Y/c1-8-3-7-4(6)2-5(8)9;;/h2H,6H2,1H3;1H3;/q2*-1;
InChIKeyHMBCJVVLIXBZMK-UHFFFAOYSA-N
MW228.06 g/mol
LogP-0.39
Rot. Bonds

About 6-amino-3-methyl-2H-pyrimidin-2-id-4-one;carbanide;yttrium

6-amino-3-methyl-2H-pyrimidin-2-id-4-one;carbanide;yttrium (PubChem CID 59987591) has the molecular formula C6H9N3OY-2 and a molecular weight of 228.06 g/mol. Its IUPAC name is 6-amino-3-methyl-2H-pyrimidin-2-id-4-one;carbanide;yttrium.

Molecular Properties

Compound Name6-amino-3-methyl-2H-pyrimidin-2-id-4-one;carbanide;yttrium
PubChem CID59987591
Molecular FormulaC6H9N3OY-2
Molecular Weight228.06 g/mol
Exact Mass227.98
IUPAC Name6-amino-3-methyl-2H-pyrimidin-2-id-4-one;carbanide;yttrium
SMILESCn1[c-]nc(N)cc1=O.[CH3-].[Y]
InChIInChI=1S/C5H6N3O.CH3.Y/c1-8-3-7-4(6)2-5(8)9;;/h2H,6H2,1H3;1H3;/q2*-1;
InChIKeyHMBCJVVLIXBZMK-UHFFFAOYSA-N
XLogP-0.39
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.06
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-2H-pyrimidin-2-id-4-one;carbanide;yttrium?
The IUPAC name of 6-amino-3-methyl-2H-pyrimidin-2-id-4-one;carbanide;yttrium (CID 59987591) is 6-amino-3-methyl-2H-pyrimidin-2-id-4-one;carbanide;yttrium.
What is the SMILES notation for 6-amino-3-methyl-2H-pyrimidin-2-id-4-one;carbanide;yttrium?
The canonical SMILES for 6-amino-3-methyl-2H-pyrimidin-2-id-4-one;carbanide;yttrium is Cn1[c-]nc(N)cc1=O.[CH3-].[Y].
What is the InChIKey of 6-amino-3-methyl-2H-pyrimidin-2-id-4-one;carbanide;yttrium?
The InChIKey is HMBCJVVLIXBZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N3O.CH3.Y/c1-8-3-7-4(6)2-5(8)9;;/h2H,6H2,1H3;1H3;/q2*-1;.
What are the key properties of 6-amino-3-methyl-2H-pyrimidin-2-id-4-one;carbanide;yttrium?
6-amino-3-methyl-2H-pyrimidin-2-id-4-one;carbanide;yttrium has a molecular weight of 228.06 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-2H-pyrimidin-2-id-4-one;carbanide;yttrium is sourced from PubChem (CID 59987591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).