4-(furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine

C13H10N4O — CID 118709194

IUPAC4-(furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine
SMILESNc1ncc(-c2ccncc2)c(-c2ccoc2)n1
InChIInChI=1S/C13H10N4O/c14-13-16-7-11(9-1-4-15-5-2-9)12(17-13)10-3-6-18-8-10/h1-8H,(H2,14,16,17)
InChIKeyXGHJHRRNJGDMCC-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.38
Rot. Bonds2

About 4-(furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine

4-(furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine (PubChem CID 118709194) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine
PubChem CID118709194
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name4-(furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine
SMILESNc1ncc(-c2ccncc2)c(-c2ccoc2)n1
InChIInChI=1S/C13H10N4O/c14-13-16-7-11(9-1-4-15-5-2-9)12(17-13)10-3-6-18-8-10/h1-8H,(H2,14,16,17)
InChIKeyXGHJHRRNJGDMCC-UHFFFAOYSA-N
XLogP2.38
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine (CID 118709194) is 4-(furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine is Nc1ncc(-c2ccncc2)c(-c2ccoc2)n1.
What is the InChIKey of 4-(furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is XGHJHRRNJGDMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-13-16-7-11(9-1-4-15-5-2-9)12(17-13)10-3-6-18-8-10/h1-8H,(H2,14,16,17).
What are the key properties of 4-(furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine?
4-(furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 238.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 118709194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).