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

C15H22N6O — CID 56918843

IUPAC1,6-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H]2COC[C@@H]2N2CCCC2)c2cnn(C)c2n1
InChIInChI=1S/C15H22N6O/c1-10-17-14(11-7-16-20(2)15(11)18-10)19-12-8-22-9-13(12)21-5-3-4-6-21/h7,12-13H,3-6,8-9H2,1-2H3,(H,17,18,19)/t12-,13-/m0/s1
InChIKeyIGUFEXWUANXBSS-STQMWFEESA-N
MW302.38 g/mol
LogP0.95
Rot. Bonds3

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

1,6-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56918843) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1,6-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,6-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56918843
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1,6-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H]2COC[C@@H]2N2CCCC2)c2cnn(C)c2n1
InChIInChI=1S/C15H22N6O/c1-10-17-14(11-7-16-20(2)15(11)18-10)19-12-8-22-9-13(12)21-5-3-4-6-21/h7,12-13H,3-6,8-9H2,1-2H3,(H,17,18,19)/t12-,13-/m0/s1
InChIKeyIGUFEXWUANXBSS-STQMWFEESA-N
XLogP0.95
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,6-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 56918843) is 1,6-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,6-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,6-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(N[C@H]2COC[C@@H]2N2CCCC2)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IGUFEXWUANXBSS-STQMWFEESA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-17-14(11-7-16-20(2)15(11)18-10)19-12-8-22-9-13(12)21-5-3-4-6-21/h7,12-13H,3-6,8-9H2,1-2H3,(H,17,18,19)/t12-,13-/m0/s1.
What are the key properties of 1,6-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1,6-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56918843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).