5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1H-pyridin-2-one

C17H12N6O2 — CID 11544506

IUPAC5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1H-pyridin-2-one
SMILESO=c1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c[nH]1
InChIInChI=1S/C17H12N6O2/c24-15-4-3-11(8-19-15)22-17-20-9-12(13-5-6-18-10-21-13)16(23-17)14-2-1-7-25-14/h1-10H,(H,19,24)(H,20,22,23)
InChIKeyFCQHLVOBGNNKBH-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.63
Rot. Bonds4

About 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1H-pyridin-2-one

5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1H-pyridin-2-one (PubChem CID 11544506) has the molecular formula C17H12N6O2 and a molecular weight of 332.32 g/mol. Its IUPAC name is 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1H-pyridin-2-one
PubChem CID11544506
Molecular FormulaC17H12N6O2
Molecular Weight332.32 g/mol
Exact Mass332.10
IUPAC Name5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1H-pyridin-2-one
SMILESO=c1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c[nH]1
InChIInChI=1S/C17H12N6O2/c24-15-4-3-11(8-19-15)22-17-20-9-12(13-5-6-18-10-21-13)16(23-17)14-2-1-7-25-14/h1-10H,(H,19,24)(H,20,22,23)
InChIKeyFCQHLVOBGNNKBH-UHFFFAOYSA-N
XLogP2.63
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1H-pyridin-2-one?
The IUPAC name of 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1H-pyridin-2-one (CID 11544506) is 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1H-pyridin-2-one?
The canonical SMILES for 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1H-pyridin-2-one is O=c1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c[nH]1.
What is the InChIKey of 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1H-pyridin-2-one?
The InChIKey is FCQHLVOBGNNKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2/c24-15-4-3-11(8-19-15)22-17-20-9-12(13-5-6-18-10-21-13)16(23-17)14-2-1-7-25-14/h1-10H,(H,19,24)(H,20,22,23).
What are the key properties of 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1H-pyridin-2-one?
5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1H-pyridin-2-one has a molecular weight of 332.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 11544506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).