3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

C12H19N5O — CID 135702344

IUPAC3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCCCn1nc2nc(C(C)(C)C)[nH]c(=O)c2c1N
InChIInChI=1S/C12H19N5O/c1-5-6-17-8(13)7-9(16-17)14-11(12(2,3)4)15-10(7)18/h5-6,13H2,1-4H3,(H,14,15,16,18)
InChIKeySONRWMDWFQEYEI-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.41
Rot. Bonds2

About 3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one

3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135702344) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135702344
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCCCn1nc2nc(C(C)(C)C)[nH]c(=O)c2c1N
InChIInChI=1S/C12H19N5O/c1-5-6-17-8(13)7-9(16-17)14-11(12(2,3)4)15-10(7)18/h5-6,13H2,1-4H3,(H,14,15,16,18)
InChIKeySONRWMDWFQEYEI-UHFFFAOYSA-N
XLogP1.41
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
1-ethyl-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135973583
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
3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702351
2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702357
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 3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 135702344) is 3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one is CCCn1nc2nc(C(C)(C)C)[nH]c(=O)c2c1N.
What is the InChIKey of 3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is SONRWMDWFQEYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-6-17-8(13)7-9(16-17)14-11(12(2,3)4)15-10(7)18/h5-6,13H2,1-4H3,(H,14,15,16,18).
What are the key properties of 3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 249.32 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135702344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).