8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione

C14H21N5O3 — CID 82466184

IUPAC8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione
SMILESCOCc1nc2c(c(=O)n(C3CCNCC3)c(=O)n2C)n1C
InChIInChI=1S/C14H21N5O3/c1-17-10(8-22-3)16-12-11(17)13(20)19(14(21)18(12)2)9-4-6-15-7-5-9/h9,15H,4-8H2,1-3H3
InChIKeyCGGZGLOVDOFDMX-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.50
Rot. Bonds3

About 8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione

8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione (PubChem CID 82466184) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione.

Molecular Properties

Compound Name8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione
PubChem CID82466184
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione
SMILESCOCc1nc2c(c(=O)n(C3CCNCC3)c(=O)n2C)n1C
InChIInChI=1S/C14H21N5O3/c1-17-10(8-22-3)16-12-11(17)13(20)19(14(21)18(12)2)9-4-6-15-7-5-9/h9,15H,4-8H2,1-3H3
InChIKeyCGGZGLOVDOFDMX-UHFFFAOYSA-N
XLogP-0.50
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-(methoxymethyl)-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione
CID 82465803
1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione
CID 82465740
3-(2-methoxyethyl)-7,8-dimethyl-1-pyrrolidin-3-ylpurine-2,6-dione
CID 82466435
8-butyl-1,3-dimethyl-7-pyrrolidin-3-ylpurine-2,6-dione
CID 82465771
8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione
CID 82465215
1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 117263130
1,3,7-trimethyl-8-piperazin-1-ylpurine-2,6-dione
CID 706307
7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923350
1-(3-aminopropyl)-7-ethyl-8-(methoxymethyl)-3-methylpurine-2,6-dione
CID 82466508
3-butan-2-yl-7-methyl-1-piperidin-4-ylpurine-2,6-dione
CID 82466382
7-ethyl-1,3-dimethyl-8-(piperazin-1-ylmethyl)purine-2,6-dione
CID 82463879
7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide
CID 22923480

Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione?
The IUPAC name of 8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione (CID 82466184) is 8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione.
What is the SMILES notation for 8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione?
The canonical SMILES for 8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione is COCc1nc2c(c(=O)n(C3CCNCC3)c(=O)n2C)n1C.
What is the InChIKey of 8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione?
The InChIKey is CGGZGLOVDOFDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-17-10(8-22-3)16-12-11(17)13(20)19(14(21)18(12)2)9-4-6-15-7-5-9/h9,15H,4-8H2,1-3H3.
What are the key properties of 8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione?
8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione has a molecular weight of 307.35 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione is sourced from PubChem (CID 82466184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).