N-(9-methyl-2H-purin-2-id-6-yl)propanamide;yttrium

C9H10N5OY- — CID 59998511

IUPACN-(9-methyl-2H-purin-2-id-6-yl)propanamide;yttrium
SMILESCCC(=O)Nc1n[c-]nc2c1ncn2C.[Y]
InChIInChI=1S/C9H10N5O.Y/c1-3-6(15)13-8-7-9(11-4-10-8)14(2)5-12-7;/h5H,3H2,1-2H3,(H,10,11,13,15);/q-1;
InChIKeyBMSAZHPZWLMVRA-UHFFFAOYSA-N
MW293.12 g/mol
LogP0.51
Rot. Bonds2

About N-(9-methyl-2H-purin-2-id-6-yl)propanamide;yttrium

N-(9-methyl-2H-purin-2-id-6-yl)propanamide;yttrium (PubChem CID 59998511) has the molecular formula C9H10N5OY- and a molecular weight of 293.12 g/mol. Its IUPAC name is N-(9-methyl-2H-purin-2-id-6-yl)propanamide;yttrium.

Molecular Properties

Compound NameN-(9-methyl-2H-purin-2-id-6-yl)propanamide;yttrium
PubChem CID59998511
Molecular FormulaC9H10N5OY-
Molecular Weight293.12 g/mol
Exact Mass292.99
IUPAC NameN-(9-methyl-2H-purin-2-id-6-yl)propanamide;yttrium
SMILESCCC(=O)Nc1n[c-]nc2c1ncn2C.[Y]
InChIInChI=1S/C9H10N5O.Y/c1-3-6(15)13-8-7-9(11-4-10-8)14(2)5-12-7;/h5H,3H2,1-2H3,(H,10,11,13,15);/q-1;
InChIKeyBMSAZHPZWLMVRA-UHFFFAOYSA-N
XLogP0.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(9-methyl-2H-purin-2-id-6-yl)propanamide;yttrium?
The IUPAC name of N-(9-methyl-2H-purin-2-id-6-yl)propanamide;yttrium (CID 59998511) is N-(9-methyl-2H-purin-2-id-6-yl)propanamide;yttrium.
What is the SMILES notation for N-(9-methyl-2H-purin-2-id-6-yl)propanamide;yttrium?
The canonical SMILES for N-(9-methyl-2H-purin-2-id-6-yl)propanamide;yttrium is CCC(=O)Nc1n[c-]nc2c1ncn2C.[Y].
What is the InChIKey of N-(9-methyl-2H-purin-2-id-6-yl)propanamide;yttrium?
The InChIKey is BMSAZHPZWLMVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N5O.Y/c1-3-6(15)13-8-7-9(11-4-10-8)14(2)5-12-7;/h5H,3H2,1-2H3,(H,10,11,13,15);/q-1;.
What are the key properties of N-(9-methyl-2H-purin-2-id-6-yl)propanamide;yttrium?
N-(9-methyl-2H-purin-2-id-6-yl)propanamide;yttrium has a molecular weight of 293.12 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-2H-purin-2-id-6-yl)propanamide;yttrium is sourced from PubChem (CID 59998511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).