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

C11H17N5O2 — CID 135702348

IUPAC3-amino-6-tert-butyl-2-(2-hydroxyethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCC(C)(C)c1nc2nn(CCO)c(N)c2c(=O)[nH]1
InChIInChI=1S/C11H17N5O2/c1-11(2,3)10-13-8-6(9(18)14-10)7(12)16(15-8)4-5-17/h17H,4-5,12H2,1-3H3,(H,13,14,15,18)
InChIKeyKRRNTWVGAKPFBR-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.01
Rot. Bonds2

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

3-amino-6-tert-butyl-2-(2-hydroxyethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135702348) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-amino-6-tert-butyl-2-(2-hydroxyethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-6-tert-butyl-2-(2-hydroxyethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135702348
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name3-amino-6-tert-butyl-2-(2-hydroxyethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCC(C)(C)c1nc2nn(CCO)c(N)c2c(=O)[nH]1
InChIInChI=1S/C11H17N5O2/c1-11(2,3)10-13-8-6(9(18)14-10)7(12)16(15-8)4-5-17/h17H,4-5,12H2,1-3H3,(H,13,14,15,18)
InChIKeyKRRNTWVGAKPFBR-UHFFFAOYSA-N
XLogP-0.01
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408778
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 4d
CID 135402891
1-(2-hydroxyethyl)-6-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135408738
3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702351
3-Amino-5,7-diethyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 13556954
3-Amino-5,7-diethyl-2-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 13556955
N-[5-amino-4-cyano-1-(2-hydroxyethyl)pyrazol-3-yl]-2,2-dimethylpropanamide
CID 20395993
6-tert-butyl-2-methyl-3-(methylamino)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702340
3-amino-2-butyl-6-tert-butyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702341
2-Methyl-3-amino-6-t-butyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 135702342
3-amino-6-tert-butyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702344
2-Methyl-3-acetylamino-6-t-butyl-2,5-dihydropyrazolo[3,4-d]-pyrimidin-4-one
CID 135702346

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-tert-butyl-2-(2-hydroxyethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-amino-6-tert-butyl-2-(2-hydroxyethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 135702348) is 3-amino-6-tert-butyl-2-(2-hydroxyethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-6-tert-butyl-2-(2-hydroxyethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-6-tert-butyl-2-(2-hydroxyethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one is CC(C)(C)c1nc2nn(CCO)c(N)c2c(=O)[nH]1.
What is the InChIKey of 3-amino-6-tert-butyl-2-(2-hydroxyethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is KRRNTWVGAKPFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-11(2,3)10-13-8-6(9(18)14-10)7(12)16(15-8)4-5-17/h17H,4-5,12H2,1-3H3,(H,13,14,15,18).
What are the key properties of 3-amino-6-tert-butyl-2-(2-hydroxyethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
3-amino-6-tert-butyl-2-(2-hydroxyethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 251.29 g/mol, XLogP of -0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-tert-butyl-2-(2-hydroxyethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135702348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).