2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide

C13H21N7O — CID 63221215

IUPAC2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C13H21N7O/c1-4-15-11(21)8-20(5-2)7-10-17-12(14)9-6-16-19(3)13(9)18-10/h6H,4-5,7-8H2,1-3H3,(H,15,21)(H2,14,17,18)
InChIKeyIBXUDZIRTAXSBT-UHFFFAOYSA-N
MW291.36 g/mol
LogP-0.10
Rot. Bonds6

About 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide

2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide (PubChem CID 63221215) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide
PubChem CID63221215
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C13H21N7O/c1-4-15-11(21)8-20(5-2)7-10-17-12(14)9-6-16-19(3)13(9)18-10/h6H,4-5,7-8H2,1-3H3,(H,15,21)(H2,14,17,18)
InChIKeyIBXUDZIRTAXSBT-UHFFFAOYSA-N
XLogP-0.10
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 63220157
6-[[3-methoxypropyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 55161566
1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221487
6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220714
6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220353
1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220885
3-[ethyl-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]amino]propanenitrile
CID 63221163
2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride
CID 120897609
1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 107756543
3-[ethyl-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]-2-methylpropanenitrile
CID 63221848
2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide
CID 62465226
6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220569

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide (CID 63221215) is 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)Cc1nc(N)c2cnn(C)c2n1.
What is the InChIKey of 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide?
The InChIKey is IBXUDZIRTAXSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-4-15-11(21)8-20(5-2)7-10-17-12(14)9-6-16-19(3)13(9)18-10/h6H,4-5,7-8H2,1-3H3,(H,15,21)(H2,14,17,18).
What are the key properties of 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide?
2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide has a molecular weight of 291.36 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 63221215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).