ethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate

C10H13N5O2 — CID 4970615

IUPACethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1ncnc2c1cnn2C
InChIInChI=1S/C10H13N5O2/c1-3-17-8(16)5-11-9-7-4-14-15(2)10(7)13-6-12-9/h4,6H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyGMGZKSUWFKHWRT-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.34
Rot. Bonds4

About ethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate

ethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate (PubChem CID 4970615) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is ethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate
PubChem CID4970615
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Nameethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1ncnc2c1cnn2C
InChIInChI=1S/C10H13N5O2/c1-3-17-8(16)5-11-9-7-4-14-15(2)10(7)13-6-12-9/h4,6H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyGMGZKSUWFKHWRT-UHFFFAOYSA-N
XLogP0.34
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate with MolForge

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Related Compounds

N-(2,2-dimethoxyethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 7197187
ethyl N-(pyrazolo[1,5-a]pyrimidin-3-ylcarbonyl)glycinate
CID 1975787
N-(1-(2-(1,4-oxazepan-4-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71225920
N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219754
4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine
CID 653309
2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
CID 71223493
N-(2,2-diethoxyethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 7197189
N-(2-methoxyethyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 7216390
2-[(6-Chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 227483
3-(4-Amino-pyrazolo[3,4-d]pyrimidin-1-yl)-propionic acid
CID 21587661
2-{4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethan-1-ol
CID 219877
N-ethyl-1-(oxolan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 242095

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate (CID 4970615) is ethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate is CCOC(=O)CNc1ncnc2c1cnn2C.
What is the InChIKey of ethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate?
The InChIKey is GMGZKSUWFKHWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-3-17-8(16)5-11-9-7-4-14-15(2)10(7)13-6-12-9/h4,6H,3,5H2,1-2H3,(H,11,12,13).
What are the key properties of ethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate?
ethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate has a molecular weight of 235.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 4970615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).