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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Related Compounds

8-(7H-purin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 756696
8-(9H-purin-6-yl)-1-oxa-8-azaspiro[4.5]decane
CID 56865447
N-[(2-propan-2-yloxolan-3-yl)methyl]-7H-purin-6-amine
CID 71977931
(2S)-1-cyclohexyloxy-3-[[1-(7H-purin-6-yl)piperidin-4-yl]amino]propan-2-ol
CID 97453600
6-[(3-endo)-3-methoxy-8-azabicyclo[3.2.1]oct-8-yl]-9H-purine
CID 129620833
Di-(2-tetrahydrofuranyl)adenine
CID 129775066
N-methyl-N-(oxan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine
CID 133271692
6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-(trifluoromethyl)-7H-purine
CID 133520612
4-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]cyclohexan-1-ol
CID 117078910
6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7H-purin-2-amine
CID 132466681
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl ethyl carbonate
CID 10686148
9-(2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethyl)-9H-purin-6-amine
CID 12486299

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).