6-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C10H13N5O4 — CID 135990399

IUPAC6-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESNc1nc2c(cnn2[C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]1
InChIInChI=1S/C10H13N5O4/c11-10-13-8-4(9(18)14-10)2-12-15(8)7-1-5(17)6(3-16)19-7/h2,5-7,16-17H,1,3H2,(H3,11,13,14,18)/t5-,6-,7-/m1/s1
InChIKeyDLLZQBWJRMFLAD-FSDSQADBSA-N
MW267.25 g/mol
LogP-1.66
Rot. Bonds2

About 6-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135990399) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is 6-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135990399
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name6-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESNc1nc2c(cnn2[C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]1
InChIInChI=1S/C10H13N5O4/c11-10-13-8-4(9(18)14-10)2-12-15(8)7-1-5(17)6(3-16)19-7/h2,5-7,16-17H,1,3H2,(H3,11,13,14,18)/t5-,6-,7-/m1/s1
InChIKeyDLLZQBWJRMFLAD-FSDSQADBSA-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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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135990399) is 6-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Nc1nc2c(cnn2[C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]1.
What is the InChIKey of 6-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DLLZQBWJRMFLAD-FSDSQADBSA-N. The full InChI is InChI=1S/C10H13N5O4/c11-10-13-8-4(9(18)14-10)2-12-15(8)7-1-5(17)6(3-16)19-7/h2,5-7,16-17H,1,3H2,(H3,11,13,14,18)/t5-,6-,7-/m1/s1.
What are the key properties of 6-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-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-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135990399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).