[4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol

C9H10N6O3 — CID 141223619

IUPAC[4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol
SMILESNc1nc(N)c2ncn(C3=COC(CO)O3)c2n1
InChIInChI=1S/C9H10N6O3/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-17-5(1-16)18-4/h2-3,5,16H,1H2,(H4,10,11,13,14)
InChIKeyLREGVMICXALMQR-UHFFFAOYSA-N
MW250.22 g/mol
LogP-0.89
Rot. Bonds2

About [4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol

[4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol (PubChem CID 141223619) has the molecular formula C9H10N6O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is [4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol
PubChem CID141223619
Molecular FormulaC9H10N6O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name[4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol
SMILESNc1nc(N)c2ncn(C3=COC(CO)O3)c2n1
InChIInChI=1S/C9H10N6O3/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-17-5(1-16)18-4/h2-3,5,16H,1H2,(H4,10,11,13,14)
InChIKeyLREGVMICXALMQR-UHFFFAOYSA-N
XLogP-0.89
TPSA134.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol with MolForge

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Related Compounds

9-phenylpurine-2,6-diamine;dihydrochloride
CID 141031122
2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
2-[(2,6-diaminopurin-9-yl)methyl]propane-1,3-diol
CID 15516211
[(1R,4S)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 10243640
[(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol
CID 102426371
[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57008167
(2R,3R,4S,5R)-4-chloro-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 144853999
(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 90445147
trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
CID 73050804
(3R,5S,7R)-7-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940460
(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;hydrate
CID 163209763
(2R,3R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 90799611

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol?
The IUPAC name of [4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol (CID 141223619) is [4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol.
What is the SMILES notation for [4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol?
The canonical SMILES for [4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol is Nc1nc(N)c2ncn(C3=COC(CO)O3)c2n1.
What is the InChIKey of [4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol?
The InChIKey is LREGVMICXALMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O3/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-17-5(1-16)18-4/h2-3,5,16H,1H2,(H4,10,11,13,14).
What are the key properties of [4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol?
[4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol has a molecular weight of 250.22 g/mol, XLogP of -0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-diaminopurin-9-yl)-1,3-dioxol-2-yl]methanol is sourced from PubChem (CID 141223619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).