[4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol

C15H23N7O — CID 156545343

IUPAC[4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol
SMILESNc1nc(N2CCC(N)C2)c2c(n1)N(C1C=CC(CO)C1)CN2
InChIInChI=1S/C15H23N7O/c16-10-3-4-21(6-10)13-12-14(20-15(17)19-13)22(8-18-12)11-2-1-9(5-11)7-23/h1-2,9-11,18,23H,3-8,16H2,(H2,17,19,20)
InChIKeyXZTAVYWUNZKYEW-UHFFFAOYSA-N
MW317.40 g/mol
LogP-0.28
Rot. Bonds3

About [4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol

[4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol (PubChem CID 156545343) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is [4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol
PubChem CID156545343
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name[4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol
SMILESNc1nc(N2CCC(N)C2)c2c(n1)N(C1C=CC(CO)C1)CN2
InChIInChI=1S/C15H23N7O/c16-10-3-4-21(6-10)13-12-14(20-15(17)19-13)22(8-18-12)11-2-1-9(5-11)7-23/h1-2,9-11,18,23H,3-8,16H2,(H2,17,19,20)
InChIKeyXZTAVYWUNZKYEW-UHFFFAOYSA-N
XLogP-0.28
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane
CID 156801971
[4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 19822707
[(2S,5R)-5-[2-amino-6-(cyclopropylamino)-7,8-dihydropurin-9-yl]-2,5-dihydrofuran-2-yl]methanol
CID 90758707
1-(3-pyrazol-1-ylpyrazin-2-yl)pyrrolidin-3-amine
CID 102549408
(7R)-4-[(3R)-3-aminopyrrolidin-1-yl]-7-ethyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine;dihydrochloride
CID 164530946
(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 71643779
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
2-amino-9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]purine-6-carboxylic acid
CID 156545301
6-[(3R)-3-aminopyrrolidin-1-yl]-3,5-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-4-amine
CID 67302144
[4-(2-amino-6-cyclobutylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 19822706
[5-[2-amino-6-(methylamino)-7,8-dihydropurin-9-yl]oxolan-2-yl]methanol
CID 178006644

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol (CID 156545343) is [4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol is Nc1nc(N2CCC(N)C2)c2c(n1)N(C1C=CC(CO)C1)CN2.
What is the InChIKey of [4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol?
The InChIKey is XZTAVYWUNZKYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c16-10-3-4-21(6-10)13-12-14(20-15(17)19-13)22(8-18-12)11-2-1-9(5-11)7-23/h1-2,9-11,18,23H,3-8,16H2,(H2,17,19,20).
What are the key properties of [4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol?
[4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol has a molecular weight of 317.40 g/mol, XLogP of -0.28, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-6-(3-aminopyrrolidin-1-yl)-7,8-dihydropurin-9-yl]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 156545343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).