methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate

C13H18N6O2 — CID 63220623

IUPACmethyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C13H18N6O2/c1-18-12-8(6-15-18)11(14)16-10(17-12)7-19-5-3-4-9(19)13(20)21-2/h6,9H,3-5,7H2,1-2H3,(H2,14,16,17)
InChIKeyVNDWOTVQUVAUJP-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.08
Rot. Bonds3

About methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate

methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 63220623) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID63220623
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Namemethyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C13H18N6O2/c1-18-12-8(6-15-18)11(14)16-10(17-12)7-19-5-3-4-9(19)13(20)21-2/h6,9H,3-5,7H2,1-2H3,(H2,14,16,17)
InChIKeyVNDWOTVQUVAUJP-UHFFFAOYSA-N
XLogP0.08
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate with MolForge

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Related Compounds

methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate
CID 115279213
methyl (2S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-2-carboxylate
CID 97066427
methyl 1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate
CID 62189751
1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol
CID 114681779
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 55075318
1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione
CID 63220958
6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221063
methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate
CID 80657147
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione
CID 63221411
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-methyl-6-(1,4-thiazepan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221217
methyl 1-[(2-amino-4-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62471193

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate (CID 63220623) is methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1Cc1nc(N)c2cnn(C)c2n1.
What is the InChIKey of methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is VNDWOTVQUVAUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-18-12-8(6-15-18)11(14)16-10(17-12)7-19-5-3-4-9(19)13(20)21-2/h6,9H,3-5,7H2,1-2H3,(H2,14,16,17).
What are the key properties of methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate?
methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 290.33 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 63220623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).