N-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine

C14H22N6 — CID 70696465

IUPACN-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCNc1ncc2c(C(C)C)nn(C[C@@H]3CCCN3)c2n1
InChIInChI=1S/C14H22N6/c1-9(2)12-11-7-17-14(15-3)18-13(11)20(19-12)8-10-5-4-6-16-10/h7,9-10,16H,4-6,8H2,1-3H3,(H,15,17,18)/t10-/m0/s1
InChIKeyQYXBUXFSNRWCSI-JTQLQIEISA-N
MW274.37 g/mol
LogP1.74
Rot. Bonds4

About N-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine

N-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 70696465) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID70696465
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCNc1ncc2c(C(C)C)nn(C[C@@H]3CCCN3)c2n1
InChIInChI=1S/C14H22N6/c1-9(2)12-11-7-17-14(15-3)18-13(11)20(19-12)8-10-5-4-6-16-10/h7,9-10,16H,4-6,8H2,1-3H3,(H,15,17,18)/t10-/m0/s1
InChIKeyQYXBUXFSNRWCSI-JTQLQIEISA-N
XLogP1.74
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine (CID 70696465) is N-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine is CNc1ncc2c(C(C)C)nn(C[C@@H]3CCCN3)c2n1.
What is the InChIKey of N-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is QYXBUXFSNRWCSI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N6/c1-9(2)12-11-7-17-14(15-3)18-13(11)20(19-12)8-10-5-4-6-16-10/h7,9-10,16H,4-6,8H2,1-3H3,(H,15,17,18)/t10-/m0/s1.
What are the key properties of N-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine?
N-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 274.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 70696465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).