6-(2,4-difluorophenoxy)-3-methyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;ethane

C17H21F2N5O — CID 143098687

IUPAC6-(2,4-difluorophenoxy)-3-methyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;ethane
SMILESCC.CCCNc1nc(Oc2ccc(F)cc2F)nc2n[nH]c(C)c12
InChIInChI=1S/C15H15F2N5O.C2H6/c1-3-6-18-13-12-8(2)21-22-14(12)20-15(19-13)23-11-5-4-9(16)7-10(11)17;1-2/h4-5,7H,3,6H2,1-2H3,(H2,18,19,20,21,22);1-2H3
InChIKeyWVZKCZPEHBTXTC-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.58
Rot. Bonds5

About 6-(2,4-difluorophenoxy)-3-methyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;ethane

6-(2,4-difluorophenoxy)-3-methyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;ethane (PubChem CID 143098687) has the molecular formula C17H21F2N5O and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-3-methyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;ethane.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-3-methyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;ethane
PubChem CID143098687
Molecular FormulaC17H21F2N5O
Molecular Weight349.39 g/mol
Exact Mass349.17
IUPAC Name6-(2,4-difluorophenoxy)-3-methyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;ethane
SMILESCC.CCCNc1nc(Oc2ccc(F)cc2F)nc2n[nH]c(C)c12
InChIInChI=1S/C15H15F2N5O.C2H6/c1-3-6-18-13-12-8(2)21-22-14(12)20-15(19-13)23-11-5-4-9(16)7-10(11)17;1-2/h4-5,7H,3,6H2,1-2H3,(H2,18,19,20,21,22);1-2H3
InChIKeyWVZKCZPEHBTXTC-UHFFFAOYSA-N
XLogP4.58
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 59812835
(2S)-1-[[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol;3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluorophenolate
CID 159247156
3,5-dichloro-6-(2,4-difluorophenoxy)-N-propylpyridin-2-amine
CID 102760578
(2S)-1-[[3-(4-chloro-2-methylphenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
CID 59812869
2-[[6-(2,4-difluorophenoxy)-3-(2,4-difluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]propane-1,3-diol
CID 69214693
6-[[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]hexane-1,2,3,4,5-pentol
CID 69212680
5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 55145366
3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-4-ethoxy-2H-pyrazolo[3,4-d]pyrimidine
CID 59813002
3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;2-[[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 87736492
6-(2,4-difluorophenoxy)-N-(2-methylsulfonylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 54580691
3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine
CID 102989029
5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80862949

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-3-methyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;ethane?
The IUPAC name of 6-(2,4-difluorophenoxy)-3-methyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;ethane (CID 143098687) is 6-(2,4-difluorophenoxy)-3-methyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;ethane.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-3-methyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;ethane?
The canonical SMILES for 6-(2,4-difluorophenoxy)-3-methyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;ethane is CC.CCCNc1nc(Oc2ccc(F)cc2F)nc2n[nH]c(C)c12.
What is the InChIKey of 6-(2,4-difluorophenoxy)-3-methyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;ethane?
The InChIKey is WVZKCZPEHBTXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O.C2H6/c1-3-6-18-13-12-8(2)21-22-14(12)20-15(19-13)23-11-5-4-9(16)7-10(11)17;1-2/h4-5,7H,3,6H2,1-2H3,(H2,18,19,20,21,22);1-2H3.
What are the key properties of 6-(2,4-difluorophenoxy)-3-methyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;ethane?
6-(2,4-difluorophenoxy)-3-methyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;ethane has a molecular weight of 349.39 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-3-methyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;ethane is sourced from PubChem (CID 143098687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).