9-pent-4-ynylpurin-6-amine

C10H11N5 — CID 91098853

IUPAC9-pent-4-ynylpurin-6-amine
SMILESC#CCCCn1cnc2c(N)ncnc21
InChIInChI=1S/C10H11N5/c1-2-3-4-5-15-7-14-8-9(11)12-6-13-10(8)15/h1,6-7H,3-5H2,(H2,11,12,13)
InChIKeyRTBRZIMZCLZCNT-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.82
Rot. Bonds3

About 9-pent-4-ynylpurin-6-amine

9-pent-4-ynylpurin-6-amine (PubChem CID 91098853) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 9-pent-4-ynylpurin-6-amine.

Molecular Properties

Compound Name9-pent-4-ynylpurin-6-amine
PubChem CID91098853
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name9-pent-4-ynylpurin-6-amine
SMILESC#CCCCn1cnc2c(N)ncnc21
InChIInChI=1S/C10H11N5/c1-2-3-4-5-15-7-14-8-9(11)12-6-13-10(8)15/h1,6-7H,3-5H2,(H2,11,12,13)
InChIKeyRTBRZIMZCLZCNT-UHFFFAOYSA-N
XLogP0.82
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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)propane-1-sulfonic acid
CID 14056435
1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one
CID 66424327
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562
[3-(6-aminopurin-9-yl)propyl-dimethylsilyl]methanol
CID 10061415
6-chloro-9-pent-4-ynylpurin-2-amine
CID 125495382
9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
1-[3-(6-aminopurin-9-yl)propyl]pyrrole-2-carbonitrile
CID 114650911
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393

Frequently Asked Questions

What is the IUPAC name of 9-pent-4-ynylpurin-6-amine?
The IUPAC name of 9-pent-4-ynylpurin-6-amine (CID 91098853) is 9-pent-4-ynylpurin-6-amine.
What is the SMILES notation for 9-pent-4-ynylpurin-6-amine?
The canonical SMILES for 9-pent-4-ynylpurin-6-amine is C#CCCCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-pent-4-ynylpurin-6-amine?
The InChIKey is RTBRZIMZCLZCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-2-3-4-5-15-7-14-8-9(11)12-6-13-10(8)15/h1,6-7H,3-5H2,(H2,11,12,13).
What are the key properties of 9-pent-4-ynylpurin-6-amine?
9-pent-4-ynylpurin-6-amine has a molecular weight of 201.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pent-4-ynylpurin-6-amine is sourced from PubChem (CID 91098853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).