1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile

C13H13N7 — CID 114650911

IUPAC1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile
SMILESN#Cc1cccn1CCCn1cnc2c(N)ncnc21
InChIInChI=1S/C13H13N7/c14-7-10-3-1-4-19(10)5-2-6-20-9-18-11-12(15)16-8-17-13(11)20/h1,3-4,8-9H,2,5-6H2,(H2,15,16,17)
InChIKeyFYIZVKNJOQUUAR-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.17
Rot. Bonds4

About 1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile

1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile (PubChem CID 114650911) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile
PubChem CID114650911
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile
SMILESN#Cc1cccn1CCCn1cnc2c(N)ncnc21
InChIInChI=1S/C13H13N7/c14-7-10-3-1-4-19(10)5-2-6-20-9-18-11-12(15)16-8-17-13(11)20/h1,3-4,8-9H,2,5-6H2,(H2,15,16,17)
InChIKeyFYIZVKNJOQUUAR-UHFFFAOYSA-N
XLogP1.17
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one
CID 66424327
9-pent-4-ynylpurin-6-amine
CID 91098853
9-nonylpurin-6-amine
CID 3816519
9-(10-bromodecyl)purin-6-amine
CID 10831944
9-[5-[5-(6-aminopurin-9-yl)pentyldisulfanyl]pentyl]purin-6-amine
CID 102169719
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
[3-(6-aminopurin-9-yl)propyl-dimethylsilyl]methanol
CID 10061415
9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
2-(6-aminopurin-9-yl)ethoxy-cyanocyanamide
CID 146590350
9-[2-(2-chlorophenyl)ethyl]purin-6-amine
CID 46188689
9-(6-anilinohexyl)purin-6-amine
CID 67346454
9-[3-[4-[1-[4-[3-(6-aminopurin-9-yl)propoxy]phenyl]-2,2-diphenylethenyl]phenoxy]propyl]purin-6-amine
CID 102026182

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile (CID 114650911) is 1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile is N#Cc1cccn1CCCn1cnc2c(N)ncnc21.
What is the InChIKey of 1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile?
The InChIKey is FYIZVKNJOQUUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c14-7-10-3-1-4-19(10)5-2-6-20-9-18-11-12(15)16-8-17-13(11)20/h1,3-4,8-9H,2,5-6H2,(H2,15,16,17).
What are the key properties of 1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile?
1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile has a molecular weight of 267.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 114650911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).