6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one

C12H17N5O5 — CID 162472594

IUPAC6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one
SMILESCNc1nc2c(=O)[nH]c(N)cc2n1[C@@H]1O[C@H](CO)[C@H](O)C1O
InChIInChI=1S/C12H17N5O5/c1-14-12-16-7-4(2-6(13)15-10(7)21)17(12)11-9(20)8(19)5(3-18)22-11/h2,5,8-9,11,18-20H,3H2,1H3,(H,14,16)(H3,13,15,21)/t5-,8+,9?,11-/m1/s1
InChIKeyCRDKLODSVDSALU-QXBPSEORSA-N
MW311.30 g/mol
LogP-2.04
Rot. Bonds3

About 6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one

6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 162472594) has the molecular formula C12H17N5O5 and a molecular weight of 311.30 g/mol. Its IUPAC name is 6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID162472594
Molecular FormulaC12H17N5O5
Molecular Weight311.30 g/mol
Exact Mass311.12
IUPAC Name6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one
SMILESCNc1nc2c(=O)[nH]c(N)cc2n1[C@@H]1O[C@H](CO)[C@H](O)C1O
InChIInChI=1S/C12H17N5O5/c1-14-12-16-7-4(2-6(13)15-10(7)21)17(12)11-9(20)8(19)5(3-18)22-11/h2,5,8-9,11,18-20H,3H2,1H3,(H,14,16)(H3,13,15,21)/t5-,8+,9?,11-/m1/s1
InChIKeyCRDKLODSVDSALU-QXBPSEORSA-N
XLogP-2.04
TPSA158.65 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.30
LogP ≤ 5-2.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one with MolForge

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Related Compounds

9-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(methylamino)-1H-purin-6-one
CID 137161134
9-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(methylamino)-1H-purin-6-one
CID 135583588
6-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
CID 46874464
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(ethylamino)-1H-purin-6-one
CID 135481452
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-hydrazinyl-1H-purin-6-one
CID 135488830
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(4-methylphenyl)methyl]-1H-purin-6-one
CID 155898499
2-amino-9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-methylsulfonyl-1H-purin-6-one
CID 135976322
6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
CID 170315545
1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pteridine-2,4-dione
CID 23423401
2-amino-8-bromo-9-[(2S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;hydrate
CID 136835827
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-propoxy-1H-purin-6-one
CID 135768807
2-amino-8-[amino(methyl)amino]-9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137221757

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one (CID 162472594) is 6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one is CNc1nc2c(=O)[nH]c(N)cc2n1[C@@H]1O[C@H](CO)[C@H](O)C1O.
What is the InChIKey of 6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is CRDKLODSVDSALU-QXBPSEORSA-N. The full InChI is InChI=1S/C12H17N5O5/c1-14-12-16-7-4(2-6(13)15-10(7)21)17(12)11-9(20)8(19)5(3-18)22-11/h2,5,8-9,11,18-20H,3H2,1H3,(H,14,16)(H3,13,15,21)/t5-,8+,9?,11-/m1/s1.
What are the key properties of 6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one?
6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 311.30 g/mol, XLogP of -2.04, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(methylamino)-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 162472594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).