1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane

C15H22N6O — CID 157017615

IUPAC1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane
SMILESCN1CCN(c2ncc3ncn(C)c3n2)CC12CCOCC2
InChIInChI=1S/C15H22N6O/c1-19-11-17-12-9-16-14(18-13(12)19)21-6-5-20(2)15(10-21)3-7-22-8-4-15/h9,11H,3-8,10H2,1-2H3
InChIKeyPUNTUJLMWHZXNH-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.66
Rot. Bonds1

About 1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane

1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane (PubChem CID 157017615) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane
PubChem CID157017615
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane
SMILESCN1CCN(c2ncc3ncn(C)c3n2)CC12CCOCC2
InChIInChI=1S/C15H22N6O/c1-19-11-17-12-9-16-14(18-13(12)19)21-6-5-20(2)15(10-21)3-7-22-8-4-15/h9,11H,3-8,10H2,1-2H3
InChIKeyPUNTUJLMWHZXNH-UHFFFAOYSA-N
XLogP0.66
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)-9-oxa-1,4-diazaspiro[5.5]undecane
CID 139599368
9-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]purine
CID 157018227
2-(4-benzhydrylpiperazin-1-yl)-9-methylpurine
CID 3052976
1'-(9-methylpurin-2-yl)spiro[indene-1,4'-piperidine]
CID 157013063
1-methyl-4-(2-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-9-oxa-1,4-diazaspiro[5.5]undecane
CID 139598706
4-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
CID 163308783
8-methoxy-2-(9-methylpurin-2-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 163307818
4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol
CID 53385801
2-[(1S,5S)-6-azabicyclo[3.2.0]heptan-6-yl]-9-methylpurine
CID 157012415
6,8-dimethyl-2-morpholin-4-ylpteridin-7-one
CID 3234245
2-(5-methylpyrimidin-2-yl)-7-oxa-2-azaspiro[3.5]nonane
CID 163233608
(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 138807598

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane (CID 157017615) is 1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane is CN1CCN(c2ncc3ncn(C)c3n2)CC12CCOCC2.
What is the InChIKey of 1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane?
The InChIKey is PUNTUJLMWHZXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-19-11-17-12-9-16-14(18-13(12)19)21-6-5-20(2)15(10-21)3-7-22-8-4-15/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane?
1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane has a molecular weight of 302.38 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(9-methylpurin-2-yl)-9-oxa-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 157017615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).