8-phenyl-8,9-dihydropurin-7-amine

C11H11N5 — CID 175299520

IUPAC8-phenyl-8,9-dihydropurin-7-amine
SMILESNN1c2cncnc2NC1c1ccccc1
InChIInChI=1S/C11H11N5/c12-16-9-6-13-7-14-10(9)15-11(16)8-4-2-1-3-5-8/h1-7,11H,12H2,(H,13,14,15)
InChIKeyJMVJQHHTBCYQBG-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.28
Rot. Bonds1

About 8-phenyl-8,9-dihydropurin-7-amine

8-phenyl-8,9-dihydropurin-7-amine (PubChem CID 175299520) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 8-phenyl-8,9-dihydropurin-7-amine.

Molecular Properties

Compound Name8-phenyl-8,9-dihydropurin-7-amine
PubChem CID175299520
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name8-phenyl-8,9-dihydropurin-7-amine
SMILESNN1c2cncnc2NC1c1ccccc1
InChIInChI=1S/C11H11N5/c12-16-9-6-13-7-14-10(9)15-11(16)8-4-2-1-3-5-8/h1-7,11H,12H2,(H,13,14,15)
InChIKeyJMVJQHHTBCYQBG-UHFFFAOYSA-N
XLogP1.28
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(8,9-dihydro-7H-purin-8-yl)-8,9-dihydro-7H-purine
CID 71429070
3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide
CID 135312174
4-phenyl-5-piperazin-1-ylpyrimidine
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5-cyclopropyl-7,8-dihydropteridin-6-one
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5-iodo-4-(2-phenylpyrrolidin-1-yl)pyrimidine
CID 66339955
4-(4-benzylpiperidin-1-yl)pyrimidin-5-amine
CID 79918295
2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane
CID 175901209
(3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine
CID 175126573
CID 59923861
CID 59923861
7,12,17,24-tetraphenyl-2,22,23,25-tetrazaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3,5,8,10,13,15,18,20-octaene
CID 158773679
4-(4-pyridin-2-ylpyrimidin-5-yl)morpholine
CID 173446688
4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 79910439

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-8,9-dihydropurin-7-amine?
The IUPAC name of 8-phenyl-8,9-dihydropurin-7-amine (CID 175299520) is 8-phenyl-8,9-dihydropurin-7-amine.
What is the SMILES notation for 8-phenyl-8,9-dihydropurin-7-amine?
The canonical SMILES for 8-phenyl-8,9-dihydropurin-7-amine is NN1c2cncnc2NC1c1ccccc1.
What is the InChIKey of 8-phenyl-8,9-dihydropurin-7-amine?
The InChIKey is JMVJQHHTBCYQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c12-16-9-6-13-7-14-10(9)15-11(16)8-4-2-1-3-5-8/h1-7,11H,12H2,(H,13,14,15).
What are the key properties of 8-phenyl-8,9-dihydropurin-7-amine?
8-phenyl-8,9-dihydropurin-7-amine has a molecular weight of 213.24 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-8,9-dihydropurin-7-amine is sourced from PubChem (CID 175299520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).