N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C10H13N5O2 — CID 95126872

IUPACN-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1nc(NC[C@@H]2COCCO2)c2cn[nH]c2n1
InChIInChI=1S/C10H13N5O2/c1-2-17-7(5-16-1)3-11-9-8-4-14-15-10(8)13-6-12-9/h4,6-7H,1-3,5H2,(H2,11,12,13,14,15)/t7-/m1/s1
InChIKeyUAMMFQWMBLWFSI-SSDOTTSWSA-N
MW235.25 g/mol
LogP0.18
Rot. Bonds3

About N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 95126872) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID95126872
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1nc(NC[C@@H]2COCCO2)c2cn[nH]c2n1
InChIInChI=1S/C10H13N5O2/c1-2-17-7(5-16-1)3-11-9-8-4-14-15-10(8)13-6-12-9/h4,6-7H,1-3,5H2,(H2,11,12,13,14,15)/t7-/m1/s1
InChIKeyUAMMFQWMBLWFSI-SSDOTTSWSA-N
XLogP0.18
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 95126872) is N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is c1nc(NC[C@@H]2COCCO2)c2cn[nH]c2n1.
What is the InChIKey of N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is UAMMFQWMBLWFSI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-2-17-7(5-16-1)3-11-9-8-4-14-15-10(8)13-6-12-9/h4,6-7H,1-3,5H2,(H2,11,12,13,14,15)/t7-/m1/s1.
What are the key properties of N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 235.25 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95126872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).