6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine

C14H21N5O — CID 63221107

IUPAC6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(COCC2CC2)nc2c1cnn2C
InChIInChI=1S/C14H21N5O/c1-3-6-15-13-11-7-16-19(2)14(11)18-12(17-13)9-20-8-10-4-5-10/h7,10H,3-6,8-9H2,1-2H3,(H,15,17,18)
InChIKeyNDXWCEDZEREMBY-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.11
Rot. Bonds7

About 6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine

6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63221107) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63221107
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(COCC2CC2)nc2c1cnn2C
InChIInChI=1S/C14H21N5O/c1-3-6-15-13-11-7-16-19(2)14(11)18-12(17-13)9-20-8-10-4-5-10/h7,10H,3-6,8-9H2,1-2H3,(H,15,17,18)
InChIKeyNDXWCEDZEREMBY-UHFFFAOYSA-N
XLogP2.11
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(cyclopentylmethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 66322271
N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221381
N-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 103285295
1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220654
6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220753
1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 107756434
1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795315
6-cyclopentyl-N-(2-ethoxyethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70737816
1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795322
N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220563
6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171989089
6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82006493

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63221107) is 6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCNc1nc(COCC2CC2)nc2c1cnn2C.
What is the InChIKey of 6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NDXWCEDZEREMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-6-15-13-11-7-16-19(2)14(11)18-12(17-13)9-20-8-10-4-5-10/h7,10H,3-6,8-9H2,1-2H3,(H,15,17,18).
What are the key properties of 6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63221107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).