9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine

C14H16ClN5O — CID 53237481

IUPAC9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine
SMILESClCCCCn1cnc2c(NCc3ccco3)ncnc21
InChIInChI=1S/C14H16ClN5O/c15-5-1-2-6-20-10-19-12-13(17-9-18-14(12)20)16-8-11-4-3-7-21-11/h3-4,7,9-10H,1-2,5-6,8H2,(H,16,17,18)
InChIKeyZVOGPMKEIPOGAX-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.05
Rot. Bonds7

About 9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine

9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine (PubChem CID 53237481) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine.

Molecular Properties

Compound Name9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine
PubChem CID53237481
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine
SMILESClCCCCn1cnc2c(NCc3ccco3)ncnc21
InChIInChI=1S/C14H16ClN5O/c15-5-1-2-6-20-10-19-12-13(17-9-18-14(12)20)16-8-11-4-3-7-21-11/h3-4,7,9-10H,1-2,5-6,8H2,(H,16,17,18)
InChIKeyZVOGPMKEIPOGAX-UHFFFAOYSA-N
XLogP3.05
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-(4-bromobutyl)-N-(furan-2-ylmethyl)purin-6-amine
CID 53237267
4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid
CID 53237483
N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine
CID 142335220
N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431893
N-benzyl-9-heptylpurin-6-amine
CID 71371736
6-chloro-4-[[6-(furan-2-ylmethylamino)purin-9-yl]methyl]chromen-2-one
CID 155811641
(2R,3R,4R,5S)-2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 6604676
N-(furan-2-ylmethyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 162654166
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
3-(6-anilinopurin-9-yl)propan-1-ol
CID 165357858
N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 154681081
N-(furan-2-ylmethyl)-7,8-dimethoxyquinazolin-4-amine
CID 110431410

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine?
The IUPAC name of 9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine (CID 53237481) is 9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine.
What is the SMILES notation for 9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine?
The canonical SMILES for 9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine is ClCCCCn1cnc2c(NCc3ccco3)ncnc21.
What is the InChIKey of 9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine?
The InChIKey is ZVOGPMKEIPOGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-5-1-2-6-20-10-19-12-13(17-9-18-14(12)20)16-8-11-4-3-7-21-11/h3-4,7,9-10H,1-2,5-6,8H2,(H,16,17,18).
What are the key properties of 9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine?
9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine has a molecular weight of 305.77 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine is sourced from PubChem (CID 53237481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).