[4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol

C13H20N6O2 — CID 72941332

IUPAC[4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol
SMILESCN(CC1(CO)CCOCC1)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C13H20N6O2/c1-19(6-13(7-20)2-4-21-5-3-13)11-9-10(16-8-15-9)17-12(14)18-11/h8,20H,2-7H2,1H3,(H3,14,15,16,17,18)
InChIKeyFYGDPIKJEXXTKI-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.16
Rot. Bonds4

About [4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol

[4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol (PubChem CID 72941332) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is [4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol
PubChem CID72941332
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name[4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol
SMILESCN(CC1(CO)CCOCC1)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C13H20N6O2/c1-19(6-13(7-20)2-4-21-5-3-13)11-9-10(16-8-15-9)17-12(14)18-11/h8,20H,2-7H2,1H3,(H3,14,15,16,17,18)
InChIKeyFYGDPIKJEXXTKI-UHFFFAOYSA-N
XLogP0.16
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol with MolForge

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Related Compounds

2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 115669355
6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine
CID 44776717
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide
CID 115669354
ethyl 2-[(2-amino-7H-purin-6-yl)-methylamino]acetate
CID 114052448
6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine
CID 134697238
5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136999433
2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol
CID 114784943
6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669342
1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol
CID 104623697
(2-amino-7H-purin-6-yl)methanol
CID 11593490
2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine
CID 114785237
6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine
CID 114783307

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol (CID 72941332) is [4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol is CN(CC1(CO)CCOCC1)c1nc(N)nc2nc[nH]c12.
What is the InChIKey of [4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol?
The InChIKey is FYGDPIKJEXXTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-19(6-13(7-20)2-4-21-5-3-13)11-9-10(16-8-15-9)17-12(14)18-11/h8,20H,2-7H2,1H3,(H3,14,15,16,17,18).
What are the key properties of [4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol?
[4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol has a molecular weight of 292.34 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 72941332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).