6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C14H21N5O — CID 63221063

IUPAC6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(COC3CCCCCC3)nc21
InChIInChI=1S/C14H21N5O/c1-19-14-11(8-16-19)13(15)17-12(18-14)9-20-10-6-4-2-3-5-7-10/h8,10H,2-7,9H2,1H3,(H2,15,17,18)
InChIKeyMLNDBFBHEBLSPK-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.18
Rot. Bonds3

About 6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63221063) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63221063
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(COC3CCCCCC3)nc21
InChIInChI=1S/C14H21N5O/c1-19-14-11(8-16-19)13(15)17-12(18-14)9-20-10-6-4-2-3-5-7-10/h8,10H,2-7,9H2,1H3,(H2,15,17,18)
InChIKeyMLNDBFBHEBLSPK-UHFFFAOYSA-N
XLogP2.18
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220877
4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine
CID 63220849
6-(2-methoxyethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220831
1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221328
6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82006619
6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220714
1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221104
[1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol
CID 63220738
methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate
CID 63220623
6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 83221923
6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220963
[6-(cyclopentylmethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 66322271

Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63221063) is 6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(N)nc(COC3CCCCCC3)nc21.
What is the InChIKey of 6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MLNDBFBHEBLSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-19-14-11(8-16-19)13(15)17-12(18-14)9-20-10-6-4-2-3-5-7-10/h8,10H,2-7,9H2,1H3,(H2,15,17,18).
What are the key properties of 6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63221063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).