4-(furan-2-yl)-5-pyrimidin-4-yl-N-pyrimidin-5-ylpyrimidin-2-amine

C16H11N7O — CID 11659696

IUPAC4-(furan-2-yl)-5-pyrimidin-4-yl-N-pyrimidin-5-ylpyrimidin-2-amine
SMILESc1coc(-c2nc(Nc3cncnc3)ncc2-c2ccncn2)c1
InChIInChI=1S/C16H11N7O/c1-2-14(24-5-1)15-12(13-3-4-17-10-21-13)8-20-16(23-15)22-11-6-18-9-19-7-11/h1-10H,(H,20,22,23)
InChIKeyMIWVUJKIMLESNF-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.73
Rot. Bonds4

About 4-(furan-2-yl)-5-pyrimidin-4-yl-N-pyrimidin-5-ylpyrimidin-2-amine

4-(furan-2-yl)-5-pyrimidin-4-yl-N-pyrimidin-5-ylpyrimidin-2-amine (PubChem CID 11659696) has the molecular formula C16H11N7O and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-pyrimidin-4-yl-N-pyrimidin-5-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-5-pyrimidin-4-yl-N-pyrimidin-5-ylpyrimidin-2-amine
PubChem CID11659696
Molecular FormulaC16H11N7O
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC Name4-(furan-2-yl)-5-pyrimidin-4-yl-N-pyrimidin-5-ylpyrimidin-2-amine
SMILESc1coc(-c2nc(Nc3cncnc3)ncc2-c2ccncn2)c1
InChIInChI=1S/C16H11N7O/c1-2-14(24-5-1)15-12(13-3-4-17-10-21-13)8-20-16(23-15)22-11-6-18-9-19-7-11/h1-10H,(H,20,22,23)
InChIKeyMIWVUJKIMLESNF-UHFFFAOYSA-N
XLogP2.73
TPSA102.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-pyrimidin-4-yl-N-pyrimidin-5-ylpyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-5-pyrimidin-4-yl-N-pyrimidin-5-ylpyrimidin-2-amine (CID 11659696) is 4-(furan-2-yl)-5-pyrimidin-4-yl-N-pyrimidin-5-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-5-pyrimidin-4-yl-N-pyrimidin-5-ylpyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-5-pyrimidin-4-yl-N-pyrimidin-5-ylpyrimidin-2-amine is c1coc(-c2nc(Nc3cncnc3)ncc2-c2ccncn2)c1.
What is the InChIKey of 4-(furan-2-yl)-5-pyrimidin-4-yl-N-pyrimidin-5-ylpyrimidin-2-amine?
The InChIKey is MIWVUJKIMLESNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7O/c1-2-14(24-5-1)15-12(13-3-4-17-10-21-13)8-20-16(23-15)22-11-6-18-9-19-7-11/h1-10H,(H,20,22,23).
What are the key properties of 4-(furan-2-yl)-5-pyrimidin-4-yl-N-pyrimidin-5-ylpyrimidin-2-amine?
4-(furan-2-yl)-5-pyrimidin-4-yl-N-pyrimidin-5-ylpyrimidin-2-amine has a molecular weight of 317.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-pyrimidin-4-yl-N-pyrimidin-5-ylpyrimidin-2-amine is sourced from PubChem (CID 11659696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).