2-(6-aminopurin-9-yl)pentane-1,4-diol

C10H15N5O2 — CID 58657770

IUPAC2-(6-aminopurin-9-yl)pentane-1,4-diol
SMILESCC(O)CC(CO)n1cnc2c(N)ncnc21
InChIInChI=1S/C10H15N5O2/c1-6(17)2-7(3-16)15-5-14-8-9(11)12-4-13-10(8)15/h4-7,16-17H,2-3H2,1H3,(H2,11,12,13)
InChIKeyIFYCTALKLJGQHH-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.29
Rot. Bonds4

About 2-(6-aminopurin-9-yl)pentane-1,4-diol

2-(6-aminopurin-9-yl)pentane-1,4-diol (PubChem CID 58657770) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)pentane-1,4-diol.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)pentane-1,4-diol
PubChem CID58657770
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-(6-aminopurin-9-yl)pentane-1,4-diol
SMILESCC(O)CC(CO)n1cnc2c(N)ncnc21
InChIInChI=1S/C10H15N5O2/c1-6(17)2-7(3-16)15-5-14-8-9(11)12-4-13-10(8)15/h4-7,16-17H,2-3H2,1H3,(H2,11,12,13)
InChIKeyIFYCTALKLJGQHH-UHFFFAOYSA-N
XLogP-0.29
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol
CID 67145035
3-(6-aminopurin-9-yl)-4-(4-methylphenyl)butan-2-ol
CID 21460331
(1R,2S)-1-(6-aminopurin-9-yl)-1-[(2S)-1-chloro-3-hydroxypropan-2-yl]oxypropan-2-ol
CID 121245886
disodium;(2R)-2-(6-aminopurin-9-yl)-3-(phosphonatomethoxy)propan-1-ol
CID 164620739
(2R,3R)-6-(6-aminopurin-9-yl)-2,3-dimethyloct-7-ene-1,4,5-triol
CID 155409113
(3R,5R)-5-(6-aminopurin-9-yl)-5-methoxypentane-1,3-diol
CID 139454133
4-(6-aminopurin-9-yl)-2-methoxypentan-1-ol;(4-chlorophenyl)methanediol
CID 143411589
1-(6-aminopurin-9-yl)hexane-1,6-diol
CID 67892821
sodium;1-(6-aminopurin-9-yl)-4-methanidylpentan-1-ol;propane
CID 155737450
(2R)-2-amino-2-(6-aminopurin-9-yl)acetic acid
CID 40601282
(2R,3S)-2-[(1R)-1-(6-aminopurin-9-yl)ethoxy]-2-ethynylbutane-1,3-diol
CID 129212729
[1-(6-aminopurin-9-yl)-2-hydroxypropoxy]methyl dihydrogen phosphate
CID 175123312

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)pentane-1,4-diol?
The IUPAC name of 2-(6-aminopurin-9-yl)pentane-1,4-diol (CID 58657770) is 2-(6-aminopurin-9-yl)pentane-1,4-diol.
What is the SMILES notation for 2-(6-aminopurin-9-yl)pentane-1,4-diol?
The canonical SMILES for 2-(6-aminopurin-9-yl)pentane-1,4-diol is CC(O)CC(CO)n1cnc2c(N)ncnc21.
What is the InChIKey of 2-(6-aminopurin-9-yl)pentane-1,4-diol?
The InChIKey is IFYCTALKLJGQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-6(17)2-7(3-16)15-5-14-8-9(11)12-4-13-10(8)15/h4-7,16-17H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of 2-(6-aminopurin-9-yl)pentane-1,4-diol?
2-(6-aminopurin-9-yl)pentane-1,4-diol has a molecular weight of 237.26 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)pentane-1,4-diol is sourced from PubChem (CID 58657770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).