(3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one

C14H20N6O — CID 99816751

IUPAC(3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1nc(N[C@@H]2CCN(C(C)C)C2=O)c2cnn(C)c2n1
InChIInChI=1S/C14H20N6O/c1-8(2)20-6-5-11(14(20)21)18-12-10-7-15-19(4)13(10)17-9(3)16-12/h7-8,11H,5-6H2,1-4H3,(H,16,17,18)/t11-/m1/s1
InChIKeyIGSIBPQLDIXVCR-LLVKDONJSA-N
MW288.36 g/mol
LogP1.09
Rot. Bonds3

About (3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one

(3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 99816751) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is (3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one
PubChem CID99816751
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name(3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1nc(N[C@@H]2CCN(C(C)C)C2=O)c2cnn(C)c2n1
InChIInChI=1S/C14H20N6O/c1-8(2)20-6-5-11(14(20)21)18-12-10-7-15-19(4)13(10)17-9(3)16-12/h7-8,11H,5-6H2,1-4H3,(H,16,17,18)/t11-/m1/s1
InChIKeyIGSIBPQLDIXVCR-LLVKDONJSA-N
XLogP1.09
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one (CID 99816751) is (3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one is Cc1nc(N[C@@H]2CCN(C(C)C)C2=O)c2cnn(C)c2n1.
What is the InChIKey of (3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is IGSIBPQLDIXVCR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N6O/c1-8(2)20-6-5-11(14(20)21)18-12-10-7-15-19(4)13(10)17-9(3)16-12/h7-8,11H,5-6H2,1-4H3,(H,16,17,18)/t11-/m1/s1.
What are the key properties of (3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one?
(3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 288.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 99816751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).