5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium

C15H11N6OSY- — CID 59039051

IUPAC5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium
SMILESCc1cccc2nc(CSc3ncnc4nc[nH]c34)[n-]c(=O)c12.[Y]
InChIInChI=1S/C15H12N6OS.Y/c1-8-3-2-4-9-11(8)14(22)21-10(20-9)5-23-15-12-13(17-6-16-12)18-7-19-15;/h2-4,6-7H,5H2,1H3,(H2,16,17,18,19,20,21,22);/p-1
InChIKeyWDXSJUYQNCHMPO-UHFFFAOYSA-M
MW412.27 g/mol
LogP1.82
Rot. Bonds3

About 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium

5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium (PubChem CID 59039051) has the molecular formula C15H11N6OSY- and a molecular weight of 412.27 g/mol. Its IUPAC name is 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium.

Molecular Properties

Compound Name5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium
PubChem CID59039051
Molecular FormulaC15H11N6OSY-
Molecular Weight412.27 g/mol
Exact Mass411.98
IUPAC Name5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium
SMILESCc1cccc2nc(CSc3ncnc4nc[nH]c34)[n-]c(=O)c12.[Y]
InChIInChI=1S/C15H12N6OS.Y/c1-8-3-2-4-9-11(8)14(22)21-10(20-9)5-23-15-12-13(17-6-16-12)18-7-19-15;/h2-4,6-7H,5H2,1H3,(H2,16,17,18,19,20,21,22);/p-1
InChIKeyWDXSJUYQNCHMPO-UHFFFAOYSA-M
XLogP1.82
TPSA98.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium with MolForge

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Related Compounds

azanide;5-methyl-2-(7H-purin-6-ylsulfanylmethyl)-3,1-benzoxazin-4-one;5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;bis(yttrium)
CID 160869438
6-(pyridazin-3-ylmethylsulfanyl)-7H-purine
CID 171816697
3-benzyl-5-methoxy-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one
CID 10296327
1-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone
CID 62254157
3-(2-fluorophenyl)-5-methyl-2-(7H-purin-6-ylmethylsulfanyl)quinazolin-4-one
CID 172765508
3-(2-chlorophenyl)-5-methoxy-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one
CID 10138837
6-[(4-methylsulfanylphenyl)methylsulfanyl]-7H-purine
CID 146314022
3-chloro-2-(7H-purin-6-ylsulfanylmethyl)aniline
CID 63746301
N-methyl-3-(7H-purin-6-ylsulfanylmethyl)pyridin-2-amine
CID 62469468
2-[(2-amino-7H-purin-6-yl)sulfanylmethyl]-3-cyclopropyl-5-methylquinazolin-4-one
CID 10156577
6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
6-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]-7H-purine
CID 86814384

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium?
The IUPAC name of 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium (CID 59039051) is 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium.
What is the SMILES notation for 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium?
The canonical SMILES for 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium is Cc1cccc2nc(CSc3ncnc4nc[nH]c34)[n-]c(=O)c12.[Y].
What is the InChIKey of 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium?
The InChIKey is WDXSJUYQNCHMPO-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12N6OS.Y/c1-8-3-2-4-9-11(8)14(22)21-10(20-9)5-23-15-12-13(17-6-16-12)18-7-19-15;/h2-4,6-7H,5H2,1H3,(H2,16,17,18,19,20,21,22);/p-1.
What are the key properties of 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium?
5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium has a molecular weight of 412.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one;yttrium is sourced from PubChem (CID 59039051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).