ethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate

C14H21N5O2 — CID 56900467

IUPACethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(C(C)(C)C)nc2c1cnn2C
InChIInChI=1S/C14H21N5O2/c1-6-21-10(20)8-15-11-9-7-16-19(5)12(9)18-13(17-11)14(2,3)4/h7H,6,8H2,1-5H3,(H,15,17,18)
InChIKeyTVOLDUJWCBSECY-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.64
Rot. Bonds4

About ethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate

ethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate (PubChem CID 56900467) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is ethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate
PubChem CID56900467
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Nameethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(C(C)(C)C)nc2c1cnn2C
InChIInChI=1S/C14H21N5O2/c1-6-21-10(20)8-15-11-9-7-16-19(5)12(9)18-13(17-11)14(2,3)4/h7H,6,8H2,1-5H3,(H,15,17,18)
InChIKeyTVOLDUJWCBSECY-UHFFFAOYSA-N
XLogP1.64
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dimethoxyethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 7197187
N-(1-(2-(1,4-oxazepan-4-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71225920
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
2-((1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)ethanol
CID 219784
Ethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate
CID 4970615
2-[(1-Tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 127035703
1-(1-(2-(1,4-oxazepan-4-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-propylurea
CID 71223014
4-Amino-6-methylthio-1-(2',2'-diethoxyethyl)-1H-pyrazolo(3,4-d)pyrimidine
CID 197350

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate (CID 56900467) is ethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate is CCOC(=O)CNc1nc(C(C)(C)C)nc2c1cnn2C.
What is the InChIKey of ethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate?
The InChIKey is TVOLDUJWCBSECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-6-21-10(20)8-15-11-9-7-16-19(5)12(9)18-13(17-11)14(2,3)4/h7H,6,8H2,1-5H3,(H,15,17,18).
What are the key properties of ethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate?
ethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate has a molecular weight of 291.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 56900467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).