2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium

C15H17N4SY- — CID 59414092

IUPAC2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium
SMILESCc1ncc2nc(Cc3cccs3)n(C[C-](C)C)c2n1.[Y]
InChIInChI=1S/C15H17N4S.Y/c1-10(2)9-19-14(7-12-5-4-6-20-12)18-13-8-16-11(3)17-15(13)19;/h4-6,8H,7,9H2,1-3H3;/q-1;
InChIKeyWZEDUPKAHIMIBK-UHFFFAOYSA-N
MW374.30 g/mol
LogP3.40
Rot. Bonds4

About 2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium

2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium (PubChem CID 59414092) has the molecular formula C15H17N4SY- and a molecular weight of 374.30 g/mol. Its IUPAC name is 2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium.

Molecular Properties

Compound Name2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium
PubChem CID59414092
Molecular FormulaC15H17N4SY-
Molecular Weight374.30 g/mol
Exact Mass374.02
IUPAC Name2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium
SMILESCc1ncc2nc(Cc3cccs3)n(C[C-](C)C)c2n1.[Y]
InChIInChI=1S/C15H17N4S.Y/c1-10(2)9-19-14(7-12-5-4-6-20-12)18-13-8-16-11(3)17-15(13)19;/h4-6,8H,7,9H2,1-3H3;/q-1;
InChIKeyWZEDUPKAHIMIBK-UHFFFAOYSA-N
XLogP3.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
CID 94746861
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82145244
3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide
CID 94757870
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 39157935
3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 93209804
3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 82143568
1-[2-(2,5-dimethylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242940
1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242980
2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79301361
4-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]butanenitrile
CID 94758775
1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242958
5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole
CID 117259295

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium?
The IUPAC name of 2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium (CID 59414092) is 2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium.
What is the SMILES notation for 2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium?
The canonical SMILES for 2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium is Cc1ncc2nc(Cc3cccs3)n(C[C-](C)C)c2n1.[Y].
What is the InChIKey of 2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium?
The InChIKey is WZEDUPKAHIMIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N4S.Y/c1-10(2)9-19-14(7-12-5-4-6-20-12)18-13-8-16-11(3)17-15(13)19;/h4-6,8H,7,9H2,1-3H3;/q-1;.
What are the key properties of 2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium?
2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium has a molecular weight of 374.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(2-methylpropyl)-8-(thiophen-2-ylmethyl)purine;yttrium is sourced from PubChem (CID 59414092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).