5-[(E)-2-(furan-2-yl)ethenyl]-N-(furan-2-ylmethyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine

C20H21N5O2 — CID 155535792

IUPAC5-[(E)-2-(furan-2-yl)ethenyl]-N-(furan-2-ylmethyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NCc3ccco3)nc(/C=C/c3ccco3)nc12
InChIInChI=1S/C20H21N5O2/c1-3-6-16-18-19(25(2)24-16)20(21-13-15-8-5-12-27-15)23-17(22-18)10-9-14-7-4-11-26-14/h4-5,7-12H,3,6,13H2,1-2H3,(H,21,22,23)/b10-9+
InChIKeyBDYAOMQRMGHIPR-MDZDMXLPSA-N
MW363.42 g/mol
LogP4.28
Rot. Bonds7

About 5-[(E)-2-(furan-2-yl)ethenyl]-N-(furan-2-ylmethyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine

5-[(E)-2-(furan-2-yl)ethenyl]-N-(furan-2-ylmethyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 155535792) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[(E)-2-(furan-2-yl)ethenyl]-N-(furan-2-ylmethyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(E)-2-(furan-2-yl)ethenyl]-N-(furan-2-ylmethyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID155535792
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name5-[(E)-2-(furan-2-yl)ethenyl]-N-(furan-2-ylmethyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NCc3ccco3)nc(/C=C/c3ccco3)nc12
InChIInChI=1S/C20H21N5O2/c1-3-6-16-18-19(25(2)24-16)20(21-13-15-8-5-12-27-15)23-17(22-18)10-9-14-7-4-11-26-14/h4-5,7-12H,3,6,13H2,1-2H3,(H,21,22,23)/b10-9+
InChIKeyBDYAOMQRMGHIPR-MDZDMXLPSA-N
XLogP4.28
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-N-(furan-2-ylmethyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-N-(furan-2-ylmethyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine (CID 155535792) is 5-[(E)-2-(furan-2-yl)ethenyl]-N-(furan-2-ylmethyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-[(E)-2-(furan-2-yl)ethenyl]-N-(furan-2-ylmethyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-[(E)-2-(furan-2-yl)ethenyl]-N-(furan-2-ylmethyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine is CCCc1nn(C)c2c(NCc3ccco3)nc(/C=C/c3ccco3)nc12.
What is the InChIKey of 5-[(E)-2-(furan-2-yl)ethenyl]-N-(furan-2-ylmethyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is BDYAOMQRMGHIPR-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-6-16-18-19(25(2)24-16)20(21-13-15-8-5-12-27-15)23-17(22-18)10-9-14-7-4-11-26-14/h4-5,7-12H,3,6,13H2,1-2H3,(H,21,22,23)/b10-9+.
What are the key properties of 5-[(E)-2-(furan-2-yl)ethenyl]-N-(furan-2-ylmethyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
5-[(E)-2-(furan-2-yl)ethenyl]-N-(furan-2-ylmethyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 363.42 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(furan-2-yl)ethenyl]-N-(furan-2-ylmethyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 155535792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).