1,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H20N6O — CID 70723150

IUPAC1,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2nc(-c3ccccn3)nc(NC[C@@H]3CCCO3)c12
InChIInChI=1S/C17H20N6O/c1-11-14-16(19-10-12-6-5-9-24-12)20-15(13-7-3-4-8-18-13)21-17(14)23(2)22-11/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,19,20,21)/t12-/m0/s1
InChIKeyYSXPRWXCEOZNKH-LBPRGKRZSA-N
MW324.39 g/mol
LogP2.32
Rot. Bonds4

About 1,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

1,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70723150) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70723150
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2nc(-c3ccccn3)nc(NC[C@@H]3CCCO3)c12
InChIInChI=1S/C17H20N6O/c1-11-14-16(19-10-12-6-5-9-24-12)20-15(13-7-3-4-8-18-13)21-17(14)23(2)22-11/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,19,20,21)/t12-/m0/s1
InChIKeyYSXPRWXCEOZNKH-LBPRGKRZSA-N
XLogP2.32
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70723150) is 1,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C)c2nc(-c3ccccn3)nc(NC[C@@H]3CCCO3)c12.
What is the InChIKey of 1,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YSXPRWXCEOZNKH-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-14-16(19-10-12-6-5-9-24-12)20-15(13-7-3-4-8-18-13)21-17(14)23(2)22-11/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,19,20,21)/t12-/m0/s1.
What are the key properties of 1,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 324.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70723150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).