1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C13H13N5O — CID 63221328

IUPAC1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(COc3ccccc3)nc21
InChIInChI=1S/C13H13N5O/c1-18-13-10(7-15-18)12(14)16-11(17-13)8-19-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H2,14,16,17)
InChIKeyLCKUSFHAWBQTLB-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.52
Rot. Bonds3

About 1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63221328) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63221328
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(COc3ccccc3)nc21
InChIInChI=1S/C13H13N5O/c1-18-13-10(7-15-18)12(14)16-11(17-13)8-19-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H2,14,16,17)
InChIKeyLCKUSFHAWBQTLB-UHFFFAOYSA-N
XLogP1.52
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methoxy]benzonitrile
CID 63220832
1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221104
2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methoxy]benzonitrile
CID 63220872
6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220963
6-[(2,3-dichlorophenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221106
6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221383
6-(2-methoxyethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220831
6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82006619
4-chloro-6-[(3-chlorophenoxy)methyl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 63221073
4-chloro-6-[(4-iodophenoxy)methyl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 63221164
6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221063
1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220877

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 63221328) is 1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(N)nc(COc3ccccc3)nc21.
What is the InChIKey of 1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LCKUSFHAWBQTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18-13-10(7-15-18)12(14)16-11(17-13)8-19-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H2,14,16,17).
What are the key properties of 1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 255.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63221328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).