9-methyl-6-pyrrol-1-ylpurine

C10H9N5 — CID 139206213

IUPAC9-methyl-6-pyrrol-1-ylpurine
SMILESCn1cnc2c(-n3cccc3)ncnc21
InChIInChI=1S/C10H9N5/c1-14-7-13-8-9(14)11-6-12-10(8)15-4-2-3-5-15/h2-7H,1H3
InChIKeyQQNQQLRXXZPGIW-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.15
Rot. Bonds1

About 9-methyl-6-pyrrol-1-ylpurine

9-methyl-6-pyrrol-1-ylpurine (PubChem CID 139206213) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 9-methyl-6-pyrrol-1-ylpurine.

Molecular Properties

Compound Name9-methyl-6-pyrrol-1-ylpurine
PubChem CID139206213
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name9-methyl-6-pyrrol-1-ylpurine
SMILESCn1cnc2c(-n3cccc3)ncnc21
InChIInChI=1S/C10H9N5/c1-14-7-13-8-9(14)11-6-12-10(8)15-4-2-3-5-15/h2-7H,1H3
InChIKeyQQNQQLRXXZPGIW-UHFFFAOYSA-N
XLogP1.15
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5H-Pyrrolo[2,3-b]pyrazine
CID 5370803
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CID 87327537
6-(3-Methyl-1h-Pyrrol-1-Yl)-9h-Purine
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1,4,7b-Triaza-cyclopenta[cd]indene
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2-Bromo-5-methyl-5H-pyrrolo[2,3-b]pyrazine
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N,N-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)methanamine
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1-(4-Methylpiperazin-1-yl)-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol
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6-N-[(2-ethylpyrazol-3-yl)methyl]-6-N,8,9-trimethylpurine-2,6-diamine
CID 52422232
6-N-[(2-ethylpyrazol-3-yl)methyl]-8,9-dimethylpurine-2,6-diamine
CID 52422233
6-N,8,9-trimethyl-6-N-[(2-methylpyrazol-3-yl)methyl]purine-2,6-diamine
CID 52422234

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-pyrrol-1-ylpurine?
The IUPAC name of 9-methyl-6-pyrrol-1-ylpurine (CID 139206213) is 9-methyl-6-pyrrol-1-ylpurine.
What is the SMILES notation for 9-methyl-6-pyrrol-1-ylpurine?
The canonical SMILES for 9-methyl-6-pyrrol-1-ylpurine is Cn1cnc2c(-n3cccc3)ncnc21.
What is the InChIKey of 9-methyl-6-pyrrol-1-ylpurine?
The InChIKey is QQNQQLRXXZPGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-14-7-13-8-9(14)11-6-12-10(8)15-4-2-3-5-15/h2-7H,1H3.
What are the key properties of 9-methyl-6-pyrrol-1-ylpurine?
9-methyl-6-pyrrol-1-ylpurine has a molecular weight of 199.22 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-pyrrol-1-ylpurine is sourced from PubChem (CID 139206213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).