6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one

C10H13N5O4 — CID 135518230

IUPAC6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESNc1nc2nn(C3C[C@H](O)[C@@H](CO)O3)cc2c(=O)[nH]1
InChIInChI=1S/C10H13N5O4/c11-10-12-8-4(9(18)13-10)2-15(14-8)7-1-5(17)6(3-16)19-7/h2,5-7,16-17H,1,3H2,(H3,11,12,13,14,18)/t5-,6+,7?/m0/s1
InChIKeyDNHMRNWTKQAINX-GFCOJPQKSA-N
MW267.25 g/mol
LogP-1.66
Rot. Bonds2

About 6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one

6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135518230) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is 6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135518230
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESNc1nc2nn(C3C[C@H](O)[C@@H](CO)O3)cc2c(=O)[nH]1
InChIInChI=1S/C10H13N5O4/c11-10-12-8-4(9(18)13-10)2-15(14-8)7-1-5(17)6(3-16)19-7/h2,5-7,16-17H,1,3H2,(H3,11,12,13,14,18)/t5-,6+,7?/m0/s1
InChIKeyDNHMRNWTKQAINX-GFCOJPQKSA-N
XLogP-1.66
TPSA139.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3S,5R)-5-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-2-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 14410745
2-amino-6-bromo-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 136672815
2-(15N)azanyl-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 139025682
2-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 135433642
2,8-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 161116161
2-amino-9-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 163296296
6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazine-2,4-dione
CID 71313544
6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazine-2,4-dione
CID 131865431
5-amino-3-[(2R,4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 147154349
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione;hydrate
CID 141452836
2-amino-8-bromo-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135441479
2-(15N)azanyl-8-bromo-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135545390

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 135518230) is 6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one is Nc1nc2nn(C3C[C@H](O)[C@@H](CO)O3)cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is DNHMRNWTKQAINX-GFCOJPQKSA-N. The full InChI is InChI=1S/C10H13N5O4/c11-10-12-8-4(9(18)13-10)2-15(14-8)7-1-5(17)6(3-16)19-7/h2,5-7,16-17H,1,3H2,(H3,11,12,13,14,18)/t5-,6+,7?/m0/s1.
What are the key properties of 6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one?
6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 267.25 g/mol, XLogP of -1.66, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135518230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).