N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine

C14H19N5O2 — CID 79119003

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine
SMILESCN(c1ncnc2nc[nH]c12)C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H19N5O2/c1-19(13-11-12(16-8-15-11)17-9-18-13)10-2-4-14(5-3-10)20-6-7-21-14/h8-10H,2-7H2,1H3,(H,15,16,17,18)
InChIKeyDWLIZSATFIQVEC-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.47
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine

N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine (PubChem CID 79119003) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine
PubChem CID79119003
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine
SMILESCN(c1ncnc2nc[nH]c12)C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H19N5O2/c1-19(13-11-12(16-8-15-11)17-9-18-13)10-2-4-14(5-3-10)20-6-7-21-14/h8-10H,2-7H2,1H3,(H,15,16,17,18)
InChIKeyDWLIZSATFIQVEC-UHFFFAOYSA-N
XLogP1.47
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine (CID 79119003) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine is CN(c1ncnc2nc[nH]c12)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine?
The InChIKey is DWLIZSATFIQVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-19(13-11-12(16-8-15-11)17-9-18-13)10-2-4-14(5-3-10)20-6-7-21-14/h8-10H,2-7H2,1H3,(H,15,16,17,18).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine has a molecular weight of 289.34 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-7H-purin-6-amine is sourced from PubChem (CID 79119003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).