(3S)-1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine

C16H26N6 — CID 56900331

IUPAC(3S)-1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(c2nc(C(C)(C)C)nc3c2cnn3C)C1
InChIInChI=1S/C16H26N6/c1-16(2,3)15-18-13-12(9-17-21(13)6)14(19-15)22-8-7-11(10-22)20(4)5/h9,11H,7-8,10H2,1-6H3/t11-/m0/s1
InChIKeyPDJJLJIAEOFPPF-NSHDSACASA-N
MW302.43 g/mol
LogP1.80
Rot. Bonds2

About (3S)-1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine

(3S)-1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 56900331) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is (3S)-1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID56900331
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC Name(3S)-1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(c2nc(C(C)(C)C)nc3c2cnn3C)C1
InChIInChI=1S/C16H26N6/c1-16(2,3)15-18-13-12(9-17-21(13)6)14(19-15)22-8-7-11(10-22)20(4)5/h9,11H,7-8,10H2,1-6H3/t11-/m0/s1
InChIKeyPDJJLJIAEOFPPF-NSHDSACASA-N
XLogP1.80
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine (CID 56900331) is (3S)-1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine is CN(C)[C@H]1CCN(c2nc(C(C)(C)C)nc3c2cnn3C)C1.
What is the InChIKey of (3S)-1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is PDJJLJIAEOFPPF-NSHDSACASA-N. The full InChI is InChI=1S/C16H26N6/c1-16(2,3)15-18-13-12(9-17-21(13)6)14(19-15)22-8-7-11(10-22)20(4)5/h9,11H,7-8,10H2,1-6H3/t11-/m0/s1.
What are the key properties of (3S)-1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
(3S)-1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 302.43 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 56900331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).