2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine

C11H9N5O — CID 11424684

IUPAC2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine
SMILESNc1cc(-n2cccn2)nc(-c2ccco2)n1
InChIInChI=1S/C11H9N5O/c12-9-7-10(16-5-2-4-13-16)15-11(14-9)8-3-1-6-17-8/h1-7H,(H2,12,14,15)
InChIKeySSPIGFDAVQVRCH-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.50
Rot. Bonds2

About 2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine

2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine (PubChem CID 11424684) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine
PubChem CID11424684
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine
SMILESNc1cc(-n2cccn2)nc(-c2ccco2)n1
InChIInChI=1S/C11H9N5O/c12-9-7-10(16-5-2-4-13-16)15-11(14-9)8-3-1-6-17-8/h1-7H,(H2,12,14,15)
InChIKeySSPIGFDAVQVRCH-UHFFFAOYSA-N
XLogP1.50
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine?
The IUPAC name of 2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine (CID 11424684) is 2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine is Nc1cc(-n2cccn2)nc(-c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine?
The InChIKey is SSPIGFDAVQVRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-9-7-10(16-5-2-4-13-16)15-11(14-9)8-3-1-6-17-8/h1-7H,(H2,12,14,15).
What are the key properties of 2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine?
2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine has a molecular weight of 227.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 11424684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).