(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol

C10H16N6O2 — CID 67450867

IUPAC(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol
SMILESCCOC[C@H](O)Cn1cnc2c(N)nc(N)nc21
InChIInChI=1S/C10H16N6O2/c1-2-18-4-6(17)3-16-5-13-7-8(11)14-10(12)15-9(7)16/h5-6,17H,2-4H2,1H3,(H4,11,12,14,15)/t6-/m1/s1
InChIKeyHJDZWFALJUNHIW-ZCFIWIBFSA-N
MW252.28 g/mol
LogP-0.61
Rot. Bonds5

About (2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol

(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol (PubChem CID 67450867) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is (2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol
PubChem CID67450867
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol
SMILESCCOC[C@H](O)Cn1cnc2c(N)nc(N)nc21
InChIInChI=1S/C10H16N6O2/c1-2-18-4-6(17)3-16-5-13-7-8(11)14-10(12)15-9(7)16/h5-6,17H,2-4H2,1H3,(H4,11,12,14,15)/t6-/m1/s1
InChIKeyHJDZWFALJUNHIW-ZCFIWIBFSA-N
XLogP-0.61
TPSA125.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769
2-[(2,6-diaminopurin-9-yl)methyl]propane-1,3-diol
CID 15516211
9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine
CID 163571544
9-propylpurine-2,6-diamine;dihydrochloride
CID 141031131
[1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid;[(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid;[(2S)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid;[(2R)-1-(2,6-diaminopurin-9-yl)-3-methoxypropan-2-yl]oxymethyl-(2-methoxyethoxy)phosphinic acid;[(2S)-1-(2,6-diaminopurin-9-yl)-3-methoxypropan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid
CID 159367002
(2S)-1-ethoxy-3-[6-(propan-2-ylamino)purin-9-yl]propan-2-ol
CID 99839843
2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol
CID 143078293
(2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol
CID 67451064
3-(6-amino-2-methylsulfanylpurin-9-yl)propane-1,2-diol
CID 14555961
9-[(2S)-3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine
CID 68817309
9-[3-fluoro-2-(phosphanylmethoxy)propyl]purine-2,6-diamine
CID 67642946
(2S)-2-[(2,6-diaminopurin-9-yl)methoxy]-2-methoxyethanol
CID 143717485

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol?
The IUPAC name of (2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol (CID 67450867) is (2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol?
The canonical SMILES for (2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol is CCOC[C@H](O)Cn1cnc2c(N)nc(N)nc21.
What is the InChIKey of (2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol?
The InChIKey is HJDZWFALJUNHIW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-2-18-4-6(17)3-16-5-13-7-8(11)14-10(12)15-9(7)16/h5-6,17H,2-4H2,1H3,(H4,11,12,14,15)/t6-/m1/s1.
What are the key properties of (2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol?
(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol has a molecular weight of 252.28 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol is sourced from PubChem (CID 67450867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).