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

C10H15N5O — CID 135702342

IUPAC3-amino-6-tert-butyl-2-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1nc2nc(C(C)(C)C)[nH]c(=O)c2c1N
InChIInChI=1S/C10H15N5O/c1-10(2,3)9-12-7-5(8(16)13-9)6(11)15(4)14-7/h11H2,1-4H3,(H,12,13,14,16)
InChIKeyPCGDUGORNQUGRS-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.54
Rot. Bonds

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

3-amino-6-tert-butyl-2-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135702342) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-amino-6-tert-butyl-2-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-6-tert-butyl-2-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135702342
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name3-amino-6-tert-butyl-2-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1nc2nc(C(C)(C)C)[nH]c(=O)c2c1N
InChIInChI=1S/C10H15N5O/c1-10(2,3)9-12-7-5(8(16)13-9)6(11)15(4)14-7/h11H2,1-4H3,(H,12,13,14,16)
InChIKeyPCGDUGORNQUGRS-UHFFFAOYSA-N
XLogP0.54
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
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-fluoro-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137184692
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
3,5-Diamino-1-methyl-1H-pyrazole-4-carboxamide
CID 20395947
5-Amino-4-cyano-3-(2,2-dimethylpropanoylamino)-1-methylpyrazole
CID 20395950
N-(5-amino-4-cyano-1-methylpyrazol-3-yl)propanamide
CID 20395959

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-tert-butyl-2-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-amino-6-tert-butyl-2-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 135702342) is 3-amino-6-tert-butyl-2-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-6-tert-butyl-2-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-6-tert-butyl-2-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one is Cn1nc2nc(C(C)(C)C)[nH]c(=O)c2c1N.
What is the InChIKey of 3-amino-6-tert-butyl-2-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is PCGDUGORNQUGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-10(2,3)9-12-7-5(8(16)13-9)6(11)15(4)14-7/h11H2,1-4H3,(H,12,13,14,16).
What are the key properties of 3-amino-6-tert-butyl-2-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one?
3-amino-6-tert-butyl-2-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 221.26 g/mol, XLogP of 0.54, 0 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-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135702342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).