N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C11H15N5O2 — CID 93423961

IUPACN-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC[C@@H]3COCCO3)ncnc21
InChIInChI=1S/C11H15N5O2/c1-16-11-9(5-15-16)10(13-7-14-11)12-4-8-6-17-2-3-18-8/h5,7-8H,2-4,6H2,1H3,(H,12,13,14)/t8-/m1/s1
InChIKeyCPKMYYHPGBVFMG-MRVPVSSYSA-N
MW249.27 g/mol
LogP0.19
Rot. Bonds3

About N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 93423961) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID93423961
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC[C@@H]3COCCO3)ncnc21
InChIInChI=1S/C11H15N5O2/c1-16-11-9(5-15-16)10(13-7-14-11)12-4-8-6-17-2-3-18-8/h5,7-8H,2-4,6H2,1H3,(H,12,13,14)/t8-/m1/s1
InChIKeyCPKMYYHPGBVFMG-MRVPVSSYSA-N
XLogP0.19
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 93423961) is N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NC[C@@H]3COCCO3)ncnc21.
What is the InChIKey of N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CPKMYYHPGBVFMG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-16-11-9(5-15-16)10(13-7-14-11)12-4-8-6-17-2-3-18-8/h5,7-8H,2-4,6H2,1H3,(H,12,13,14)/t8-/m1/s1.
What are the key properties of N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 249.27 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 93423961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).