1-methyl-6-propyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C17H26N6O — CID 70755081

IUPAC1-methyl-6-propyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(N[C@H]2COC[C@@H]2N2CCCC2)c2cnn(C)c2n1
InChIInChI=1S/C17H26N6O/c1-3-6-15-20-16(12-9-18-22(2)17(12)21-15)19-13-10-24-11-14(13)23-7-4-5-8-23/h9,13-14H,3-8,10-11H2,1-2H3,(H,19,20,21)/t13-,14-/m0/s1
InChIKeyIWJQBIRQXGYLCV-KBPBESRZSA-N
MW330.44 g/mol
LogP1.59
Rot. Bonds5

About 1-methyl-6-propyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-propyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70755081) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-methyl-6-propyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-propyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70755081
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-methyl-6-propyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(N[C@H]2COC[C@@H]2N2CCCC2)c2cnn(C)c2n1
InChIInChI=1S/C17H26N6O/c1-3-6-15-20-16(12-9-18-22(2)17(12)21-15)19-13-10-24-11-14(13)23-7-4-5-8-23/h9,13-14H,3-8,10-11H2,1-2H3,(H,19,20,21)/t13-,14-/m0/s1
InChIKeyIWJQBIRQXGYLCV-KBPBESRZSA-N
XLogP1.59
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-propyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 70755081) is 1-methyl-6-propyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-propyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-propyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is CCCc1nc(N[C@H]2COC[C@@H]2N2CCCC2)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-6-propyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IWJQBIRQXGYLCV-KBPBESRZSA-N. The full InChI is InChI=1S/C17H26N6O/c1-3-6-15-20-16(12-9-18-22(2)17(12)21-15)19-13-10-24-11-14(13)23-7-4-5-8-23/h9,13-14H,3-8,10-11H2,1-2H3,(H,19,20,21)/t13-,14-/m0/s1.
What are the key properties of 1-methyl-6-propyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-propyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70755081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).