6-pyrrol-1-yl-7H-purine

C9H7N5 — CID 10103877

IUPAC6-pyrrol-1-yl-7H-purine
SMILESc1ccn(-c2ncnc3nc[nH]c23)c1
InChIInChI=1S/C9H7N5/c1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h1-6H,(H,10,11,12,13)
InChIKeyCWBOAMAHXROOMO-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.14
Rot. Bonds1

About 6-pyrrol-1-yl-7H-purine

6-pyrrol-1-yl-7H-purine (PubChem CID 10103877) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 6-pyrrol-1-yl-7H-purine.

Molecular Properties

Compound Name6-pyrrol-1-yl-7H-purine
PubChem CID10103877
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name6-pyrrol-1-yl-7H-purine
SMILESc1ccn(-c2ncnc3nc[nH]c23)c1
InChIInChI=1S/C9H7N5/c1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h1-6H,(H,10,11,12,13)
InChIKeyCWBOAMAHXROOMO-UHFFFAOYSA-N
XLogP1.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-pyrrol-1-yl-7H-purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N6-Ethenoadenine
CID 104994
5H-Pyrrolo[2,3-b]pyrazine
CID 5370803
2-N-((1S)-1-(5-Fluoropyrimidin-2-yl)ethyl)-4-N-(1-methylimidazol-4-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 45275255
5-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CID 24971381
2-(1h-Pyrazol-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90105293
1-cyclohexyl-6H-imidazo[1,5-a]pyrrolo[2,3-e]pyrazine
CID 50906783
8-cyclohexyl-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine
CID 58010265
N-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134537061
5-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 68029340
2-bromo-7-iodo-5H-pyrrolo(2,3-b)pyrazine
CID 44118277
2-N-(4-methylpyrimidin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162658372
N-(3-imidazol-1-ylpropyl)-7H-purin-6-amine
CID 4639586

Frequently Asked Questions

What is the IUPAC name of 6-pyrrol-1-yl-7H-purine?
The IUPAC name of 6-pyrrol-1-yl-7H-purine (CID 10103877) is 6-pyrrol-1-yl-7H-purine.
What is the SMILES notation for 6-pyrrol-1-yl-7H-purine?
The canonical SMILES for 6-pyrrol-1-yl-7H-purine is c1ccn(-c2ncnc3nc[nH]c23)c1.
What is the InChIKey of 6-pyrrol-1-yl-7H-purine?
The InChIKey is CWBOAMAHXROOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h1-6H,(H,10,11,12,13).
What are the key properties of 6-pyrrol-1-yl-7H-purine?
6-pyrrol-1-yl-7H-purine has a molecular weight of 185.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrol-1-yl-7H-purine is sourced from PubChem (CID 10103877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).