6-(3-methylpyrrol-1-yl)-7H-purine

C10H9N5 — CID 15928037

IUPAC6-(3-methylpyrrol-1-yl)-7H-purine
SMILESCc1ccn(-c2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H9N5/c1-7-2-3-15(4-7)10-8-9(12-5-11-8)13-6-14-10/h2-6H,1H3,(H,11,12,13,14)
InChIKeyBCVQNVIMHTYJMD-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.45
Rot. Bonds1

About 6-(3-methylpyrrol-1-yl)-7H-purine

6-(3-methylpyrrol-1-yl)-7H-purine (PubChem CID 15928037) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 6-(3-methylpyrrol-1-yl)-7H-purine.

Molecular Properties

Compound Name6-(3-methylpyrrol-1-yl)-7H-purine
PubChem CID15928037
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name6-(3-methylpyrrol-1-yl)-7H-purine
SMILESCc1ccn(-c2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H9N5/c1-7-2-3-15(4-7)10-8-9(12-5-11-8)13-6-14-10/h2-6H,1H3,(H,11,12,13,14)
InChIKeyBCVQNVIMHTYJMD-UHFFFAOYSA-N
XLogP1.45
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9815801
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CID 45275368
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CID 50906783
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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrrol-1-yl)-7H-purine?
The IUPAC name of 6-(3-methylpyrrol-1-yl)-7H-purine (CID 15928037) is 6-(3-methylpyrrol-1-yl)-7H-purine.
What is the SMILES notation for 6-(3-methylpyrrol-1-yl)-7H-purine?
The canonical SMILES for 6-(3-methylpyrrol-1-yl)-7H-purine is Cc1ccn(-c2ncnc3nc[nH]c23)c1.
What is the InChIKey of 6-(3-methylpyrrol-1-yl)-7H-purine?
The InChIKey is BCVQNVIMHTYJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-7-2-3-15(4-7)10-8-9(12-5-11-8)13-6-14-10/h2-6H,1H3,(H,11,12,13,14).
What are the key properties of 6-(3-methylpyrrol-1-yl)-7H-purine?
6-(3-methylpyrrol-1-yl)-7H-purine has a molecular weight of 199.22 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrrol-1-yl)-7H-purine is sourced from PubChem (CID 15928037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).