[(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol

C11H15N5O2 — CID 54315484

IUPAC[(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
SMILESNc1cc2c(ncn2[C@@H]2CC[C@@H](CO)O2)c(N)n1
InChIInChI=1S/C11H15N5O2/c12-8-3-7-10(11(13)15-8)14-5-16(7)9-2-1-6(4-17)18-9/h3,5-6,9,17H,1-2,4H2,(H4,12,13,15)/t6-,9-/m0/s1
InChIKeySNVVJABLKHXNDD-RCOVLWMOSA-N
MW249.27 g/mol
LogP0.27
Rot. Bonds2

About [(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol

[(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol (PubChem CID 54315484) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is [(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
PubChem CID54315484
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name[(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
SMILESNc1cc2c(ncn2[C@@H]2CC[C@@H](CO)O2)c(N)n1
InChIInChI=1S/C11H15N5O2/c12-8-3-7-10(11(13)15-8)14-5-16(7)9-2-1-6(4-17)18-9/h3,5-6,9,17H,1-2,4H2,(H4,12,13,15)/t6-,9-/m0/s1
InChIKeySNVVJABLKHXNDD-RCOVLWMOSA-N
XLogP0.27
TPSA112.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 14630171
1-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]benzimidazole-4,6-diol
CID 54267379
[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 153392880
[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol
CID 143654262
acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol
CID 163227421
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 145281051
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol
CID 169190113
[(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 67781518
3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 10037092
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol (CID 54315484) is [(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol is Nc1cc2c(ncn2[C@@H]2CC[C@@H](CO)O2)c(N)n1.
What is the InChIKey of [(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol?
The InChIKey is SNVVJABLKHXNDD-RCOVLWMOSA-N. The full InChI is InChI=1S/C11H15N5O2/c12-8-3-7-10(11(13)15-8)14-5-16(7)9-2-1-6(4-17)18-9/h3,5-6,9,17H,1-2,4H2,(H4,12,13,15)/t6-,9-/m0/s1.
What are the key properties of [(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol?
[(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol has a molecular weight of 249.27 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 54315484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).