8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine

C15H22N6O — CID 123488868

IUPAC8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine
SMILESCN1CCN(c2nc3cncnc3n2C[C@H]2CCCO2)CC1
InChIInChI=1S/C15H22N6O/c1-19-4-6-20(7-5-19)15-18-13-9-16-11-17-14(13)21(15)10-12-3-2-8-22-12/h9,11-12H,2-8,10H2,1H3/t12-/m1/s1
InChIKeyJHTLTAHUMAEDDN-GFCCVEGCSA-N
MW302.38 g/mol
LogP0.76
Rot. Bonds3

About 8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine

8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine (PubChem CID 123488868) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine.

Molecular Properties

Compound Name8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine
PubChem CID123488868
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine
SMILESCN1CCN(c2nc3cncnc3n2C[C@H]2CCCO2)CC1
InChIInChI=1S/C15H22N6O/c1-19-4-6-20(7-5-19)15-18-13-9-16-11-17-14(13)21(15)10-12-3-2-8-22-12/h9,11-12H,2-8,10H2,1H3/t12-/m1/s1
InChIKeyJHTLTAHUMAEDDN-GFCCVEGCSA-N
XLogP0.76
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one
CID 53200998
6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine
CID 155799077
6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233955
8-methyl-9-(oxan-2-yl)purine
CID 133062486
2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone
CID 126894160
1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 31271704
8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-[[(2S)-oxolan-2-yl]methyl]purine
CID 59374652
6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79305908
2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233717
8-(oxolan-2-ylmethyl)-7H-purine
CID 114402512
3-(1-methylpiperidin-4-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163204
2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233097

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine?
The IUPAC name of 8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine (CID 123488868) is 8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine.
What is the SMILES notation for 8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine?
The canonical SMILES for 8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine is CN1CCN(c2nc3cncnc3n2C[C@H]2CCCO2)CC1.
What is the InChIKey of 8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine?
The InChIKey is JHTLTAHUMAEDDN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N6O/c1-19-4-6-20(7-5-19)15-18-13-9-16-11-17-14(13)21(15)10-12-3-2-8-22-12/h9,11-12H,2-8,10H2,1H3/t12-/m1/s1.
What are the key properties of 8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine?
8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine has a molecular weight of 302.38 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperazin-1-yl)-9-[[(2R)-oxolan-2-yl]methyl]purine is sourced from PubChem (CID 123488868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).