N-(6-tert-butyl-2-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-3-yl)acetamide

C12H17N5O2 — CID 135702346

IUPACN-(6-tert-butyl-2-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-3-yl)acetamide
SMILESCC(=O)Nc1c2c(=O)[nH]c(C(C)(C)C)nc2nn1C
InChIInChI=1S/C12H17N5O2/c1-6(18)13-9-7-8(16-17(9)5)14-11(12(2,3)4)15-10(7)19/h1-5H3,(H,13,18)(H,14,15,16,19)
InChIKeyYLFRGFMLZAUMCQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.91
Rot. Bonds1

About N-(6-tert-butyl-2-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-3-yl)acetamide

N-(6-tert-butyl-2-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-3-yl)acetamide (PubChem CID 135702346) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(6-tert-butyl-2-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-tert-butyl-2-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-3-yl)acetamide
PubChem CID135702346
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-(6-tert-butyl-2-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-3-yl)acetamide
SMILESCC(=O)Nc1c2c(=O)[nH]c(C(C)(C)C)nc2nn1C
InChIInChI=1S/C12H17N5O2/c1-6(18)13-9-7-8(16-17(9)5)14-11(12(2,3)4)15-10(7)19/h1-5H3,(H,13,18)(H,14,15,16,19)
InChIKeyYLFRGFMLZAUMCQ-UHFFFAOYSA-N
XLogP0.91
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 136321308
3-amino-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702345
3-(dimethylamino)-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702349
2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702357
1-Butyl-3-t-butylpyrimido[4',5':3,4]pyrazolo[5,1-c][1,2,4]triazine-4,10(1h,9h)dione
CID 138858171
5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide
CID 13350218
5-Acetamido-1-methyl-N-propyl-1H-pyrazole-4-carboxamide
CID 13414483
3-Amino-5,7-diethyl-1-methylpyrazolo[5,4-d]pyrimidine-4,6-dione
CID 13556946
N-(5,7-diethyl-1-methyl-4,6-dioxopyrazolo[5,4-d]pyrimidin-3-yl)acetamide
CID 13556962
3-(Dimethylamino)-5,7-diethyl-1-methylpyrazolo[5,4-d]pyrimidine-4,6-dione
CID 13556973
5,7-Diethyl-3-(ethylamino)-1-methylpyrazolo[5,4-d]pyrimidine-4,6-dione
CID 13556974
5,7-Diethyl-3-(ethylamino)-2-methylpyrazolo[3,4-d]pyrimidine-4,6-dione
CID 13556975

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-2-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(6-tert-butyl-2-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-3-yl)acetamide (CID 135702346) is N-(6-tert-butyl-2-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(6-tert-butyl-2-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(6-tert-butyl-2-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-3-yl)acetamide is CC(=O)Nc1c2c(=O)[nH]c(C(C)(C)C)nc2nn1C.
What is the InChIKey of N-(6-tert-butyl-2-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-3-yl)acetamide?
The InChIKey is YLFRGFMLZAUMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-6(18)13-9-7-8(16-17(9)5)14-11(12(2,3)4)15-10(7)19/h1-5H3,(H,13,18)(H,14,15,16,19).
What are the key properties of N-(6-tert-butyl-2-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-3-yl)acetamide?
N-(6-tert-butyl-2-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-3-yl)acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butyl-2-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 135702346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).