6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C14H14BrN5O — CID 63221383

IUPAC6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(Br)ccc1OCc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C14H14BrN5O/c1-8-5-9(15)3-4-11(8)21-7-12-18-13(16)10-6-17-20(2)14(10)19-12/h3-6H,7H2,1-2H3,(H2,16,18,19)
InChIKeyDHRFJXUSVOOROV-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.60
Rot. Bonds3

About 6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63221383) has the molecular formula C14H14BrN5O and a molecular weight of 348.20 g/mol. Its IUPAC name is 6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63221383
Molecular FormulaC14H14BrN5O
Molecular Weight348.20 g/mol
Exact Mass347.04
IUPAC Name6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(Br)ccc1OCc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C14H14BrN5O/c1-8-5-9(15)3-4-11(8)21-7-12-18-13(16)10-6-17-20(2)14(10)19-12/h3-6H,7H2,1-2H3,(H2,16,18,19)
InChIKeyDHRFJXUSVOOROV-UHFFFAOYSA-N
XLogP2.60
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220963
1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221328
6-[(2,3-dichlorophenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221106
2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methoxy]benzonitrile
CID 63220872
6-(2-methoxyethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220831
6-[(2-bromo-4-fluorophenoxy)methyl]-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine
CID 63221021
5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107043113
1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221104
6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221063
[2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63216895
1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220877
5-[(4-bromo-2-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79773932

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63221383) is 6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1cc(Br)ccc1OCc1nc(N)c2cnn(C)c2n1.
What is the InChIKey of 6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DHRFJXUSVOOROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O/c1-8-5-9(15)3-4-11(8)21-7-12-18-13(16)10-6-17-20(2)14(10)19-12/h3-6H,7H2,1-2H3,(H2,16,18,19).
What are the key properties of 6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 348.20 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63221383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).