4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine

C10H8N4O3 — CID 131858262

IUPAC4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine
SMILESNc1nccc(C=Cc2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C10H8N4O3/c11-10-12-6-5-7(13-10)1-2-8-3-4-9(17-8)14(15)16/h1-6H,(H2,11,12,13)
InChIKeyVTUUETQABAPTNY-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.73
Rot. Bonds3

About 4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine

4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine (PubChem CID 131858262) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine
PubChem CID131858262
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine
SMILESNc1nccc(C=Cc2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C10H8N4O3/c11-10-12-6-5-7(13-10)1-2-8-3-4-9(17-8)14(15)16/h1-6H,(H2,11,12,13)
InChIKeyVTUUETQABAPTNY-UHFFFAOYSA-N
XLogP1.73
TPSA108.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyrimidine
CID 121223245
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline
CID 5376326
3-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-oxadiazol-5-amine
CID 23274283
4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
CID 131848791
5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine
CID 86023507
6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline
CID 154036186
2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole
CID 23274017
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040
2-nitro-5-[(Z)-2-nitroethenyl]furan
CID 23273708
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine
CID 102309944

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine (CID 131858262) is 4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine is Nc1nccc(C=Cc2ccc([N+](=O)[O-])o2)n1.
What is the InChIKey of 4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine?
The InChIKey is VTUUETQABAPTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c11-10-12-6-5-7(13-10)1-2-8-3-4-9(17-8)14(15)16/h1-6H,(H2,11,12,13).
What are the key properties of 4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine?
4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine has a molecular weight of 232.20 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 131858262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).