9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine

C11H10N6S — CID 4889823

IUPAC9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine
SMILESCn1cnc2c(NN=Cc3cccs3)ncnc21
InChIInChI=1S/C11H10N6S/c1-17-7-14-9-10(12-6-13-11(9)17)16-15-5-8-3-2-4-18-8/h2-7H,1H3,(H,12,13,16)
InChIKeyHPVRSYLZFAAKMP-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.87
Rot. Bonds3

About 9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine

9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine (PubChem CID 4889823) has the molecular formula C11H10N6S and a molecular weight of 258.31 g/mol. Its IUPAC name is 9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine.

Molecular Properties

Compound Name9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine
PubChem CID4889823
Molecular FormulaC11H10N6S
Molecular Weight258.31 g/mol
Exact Mass258.07
IUPAC Name9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine
SMILESCn1cnc2c(NN=Cc3cccs3)ncnc21
InChIInChI=1S/C11H10N6S/c1-17-7-14-9-10(12-6-13-11(9)17)16-15-5-8-3-2-4-18-8/h2-7H,1H3,(H,12,13,16)
InChIKeyHPVRSYLZFAAKMP-UHFFFAOYSA-N
XLogP1.87
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine?
The IUPAC name of 9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine (CID 4889823) is 9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine.
What is the SMILES notation for 9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine?
The canonical SMILES for 9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine is Cn1cnc2c(NN=Cc3cccs3)ncnc21.
What is the InChIKey of 9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine?
The InChIKey is HPVRSYLZFAAKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6S/c1-17-7-14-9-10(12-6-13-11(9)17)16-15-5-8-3-2-4-18-8/h2-7H,1H3,(H,12,13,16).
What are the key properties of 9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine?
9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine has a molecular weight of 258.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine is sourced from PubChem (CID 4889823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).