4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C12H17N5O — CID 114158228

IUPAC4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCNc1nc(OCCC2CC2)c2cn[nH]c2n1
InChIInChI=1S/C12H17N5O/c1-2-13-12-15-10-9(7-14-17-10)11(16-12)18-6-5-8-3-4-8/h7-8H,2-6H2,1H3,(H2,13,14,15,16,17)
InChIKeyBQEYJFFMADCCIN-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.96
Rot. Bonds6

About 4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 114158228) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID114158228
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCNc1nc(OCCC2CC2)c2cn[nH]c2n1
InChIInChI=1S/C12H17N5O/c1-2-13-12-15-10-9(7-14-17-10)11(16-12)18-6-5-8-3-4-8/h7-8H,2-6H2,1H3,(H2,13,14,15,16,17)
InChIKeyBQEYJFFMADCCIN-UHFFFAOYSA-N
XLogP1.96
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine
CID 106207530
4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 82807611
4-(2-cyclopropylethoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 106207480
N-ethyl-4-(3-methoxypiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 102971502
6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine
CID 106207536
4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 104568194
[4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
CID 103408623
[4-(2-cyclopropylethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 106207865
[4-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol
CID 102939124
4-(2-cyclopropylethoxy)-N,5-dimethylpyrimidin-2-amine
CID 106207519
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 104830500
4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine
CID 106207830

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 114158228) is 4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine is CCNc1nc(OCCC2CC2)c2cn[nH]c2n1.
What is the InChIKey of 4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is BQEYJFFMADCCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-13-12-15-10-9(7-14-17-10)11(16-12)18-6-5-8-3-4-8/h7-8H,2-6H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 247.30 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 114158228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).