1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

C18H28N6O — CID 56907243

IUPAC1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(N[C@H]2COC[C@@H]2N2CCCCC2)c2cnn(C)c2n1
InChIInChI=1S/C18H28N6O/c1-3-7-16-21-17(13-10-19-23(2)18(13)22-16)20-14-11-25-12-15(14)24-8-5-4-6-9-24/h10,14-15H,3-9,11-12H2,1-2H3,(H,20,21,22)/t14-,15-/m0/s1
InChIKeyBWPFCXOSEIWIHL-GJZGRUSLSA-N
MW344.46 g/mol
LogP1.98
Rot. Bonds5

About 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56907243) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56907243
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(N[C@H]2COC[C@@H]2N2CCCCC2)c2cnn(C)c2n1
InChIInChI=1S/C18H28N6O/c1-3-7-16-21-17(13-10-19-23(2)18(13)22-16)20-14-11-25-12-15(14)24-8-5-4-6-9-24/h10,14-15H,3-9,11-12H2,1-2H3,(H,20,21,22)/t14-,15-/m0/s1
InChIKeyBWPFCXOSEIWIHL-GJZGRUSLSA-N
XLogP1.98
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56907243) is 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCc1nc(N[C@H]2COC[C@@H]2N2CCCCC2)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BWPFCXOSEIWIHL-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H28N6O/c1-3-7-16-21-17(13-10-19-23(2)18(13)22-16)20-14-11-25-12-15(14)24-8-5-4-6-9-24/h10,14-15H,3-9,11-12H2,1-2H3,(H,20,21,22)/t14-,15-/m0/s1.
What are the key properties of 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 344.46 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56907243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).