2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine

C19H23N5O — CID 169004627

IUPAC2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine
SMILESCCCCCCCCC#Cc1nc(N)c2[nH]c(-c3ccco3)nc2n1
InChIInChI=1S/C19H23N5O/c1-2-3-4-5-6-7-8-9-12-15-21-17(20)16-19(22-15)24-18(23-16)14-11-10-13-25-14/h10-11,13H,2-8H2,1H3,(H3,20,21,22,23,24)
InChIKeyXHROHEXAUNYJMZ-UHFFFAOYSA-N
MW337.43 g/mol
LogP4.30
Rot. Bonds7

About 2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine

2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine (PubChem CID 169004627) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine
PubChem CID169004627
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine
SMILESCCCCCCCCC#Cc1nc(N)c2[nH]c(-c3ccco3)nc2n1
InChIInChI=1S/C19H23N5O/c1-2-3-4-5-6-7-8-9-12-15-21-17(20)16-19(22-15)24-18(23-16)14-11-10-13-25-14/h10-11,13H,2-8H2,1H3,(H3,20,21,22,23,24)
InChIKeyXHROHEXAUNYJMZ-UHFFFAOYSA-N
XLogP4.30
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.30
H-Bond Donors ≤ 52
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

2-oct-1-ynyl-7H-purin-6-amine
CID 15119230
2-(furan-2-yl)-8-hex-1-ynyl-N-methyl-7H-purin-6-amine
CID 169004565
8-(furan-2-yl)-2-hex-1-ynyl-9-(2-methoxyethyl)purin-6-amine
CID 169004672
8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine
CID 18982117
3-[6-amino-8-(furan-2-yl)-2-hex-1-ynylpurin-9-yl]propane-1,2-diol
CID 169004419
4-[6-amino-8-(furan-2-yl)-9-methylpurin-2-yl]but-3-yn-1-ol
CID 20593947
2-dec-1-ynylpyrimidine
CID 71528041
2-(furan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81136731
2-(furan-2-yl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79795542
1,2-bis(oct-1-ynyl)benzene
CID 11087701
[(2R,3R)-2-[6-chloro-8-(furan-2-yl)-2-non-1-ynylpurin-9-yl]oxolan-3-yl] acetate
CID 169004571
tridec-1-ynylbenzene
CID 19991064

Frequently Asked Questions

What is the IUPAC name of 2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine?
The IUPAC name of 2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine (CID 169004627) is 2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine.
What is the SMILES notation for 2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine?
The canonical SMILES for 2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine is CCCCCCCCC#Cc1nc(N)c2[nH]c(-c3ccco3)nc2n1.
What is the InChIKey of 2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine?
The InChIKey is XHROHEXAUNYJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-3-4-5-6-7-8-9-12-15-21-17(20)16-19(22-15)24-18(23-16)14-11-10-13-25-14/h10-11,13H,2-8H2,1H3,(H3,20,21,22,23,24).
What are the key properties of 2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine?
2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine has a molecular weight of 337.43 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-1-ynyl-8-(furan-2-yl)-7H-purin-6-amine is sourced from PubChem (CID 169004627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).