N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C11H15N5O — CID 94180483

IUPACN-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1nc(NC[C@H]2CCCOC2)c2cn[nH]c2n1
InChIInChI=1S/C11H15N5O/c1-2-8(6-17-3-1)4-12-10-9-5-15-16-11(9)14-7-13-10/h5,7-8H,1-4,6H2,(H2,12,13,14,15,16)/t8-/m1/s1
InChIKeyIAFITKOQKYINAU-MRVPVSSYSA-N
MW233.27 g/mol
LogP1.19
Rot. Bonds3

About N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 94180483) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID94180483
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1nc(NC[C@H]2CCCOC2)c2cn[nH]c2n1
InChIInChI=1S/C11H15N5O/c1-2-8(6-17-3-1)4-12-10-9-5-15-16-11(9)14-7-13-10/h5,7-8H,1-4,6H2,(H2,12,13,14,15,16)/t8-/m1/s1
InChIKeyIAFITKOQKYINAU-MRVPVSSYSA-N
XLogP1.19
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 94180483) is N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is c1nc(NC[C@H]2CCCOC2)c2cn[nH]c2n1.
What is the InChIKey of N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is IAFITKOQKYINAU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-8(6-17-3-1)4-12-10-9-5-15-16-11(9)14-7-13-10/h5,7-8H,1-4,6H2,(H2,12,13,14,15,16)/t8-/m1/s1.
What are the key properties of N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 233.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 94180483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).