4-methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine

C11H10N4O3 — CID 71402414

IUPAC4-methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine
SMILESCc1cc(C=Cc2ccc([N+](=O)[O-])o2)nc(N)n1
InChIInChI=1S/C11H10N4O3/c1-7-6-8(14-11(12)13-7)2-3-9-4-5-10(18-9)15(16)17/h2-6H,1H3,(H2,12,13,14)
InChIKeyCWSCSZOUQFNPCM-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.04
Rot. Bonds3

About 4-methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine

4-methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine (PubChem CID 71402414) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine
PubChem CID71402414
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name4-methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine
SMILESCc1cc(C=Cc2ccc([N+](=O)[O-])o2)nc(N)n1
InChIInChI=1S/C11H10N4O3/c1-7-6-8(14-11(12)13-7)2-3-9-4-5-10(18-9)15(16)17/h2-6H,1H3,(H2,12,13,14)
InChIKeyCWSCSZOUQFNPCM-UHFFFAOYSA-N
XLogP2.04
TPSA108.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine (CID 71402414) is 4-methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine is Cc1cc(C=Cc2ccc([N+](=O)[O-])o2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine?
The InChIKey is CWSCSZOUQFNPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-7-6-8(14-11(12)13-7)2-3-9-4-5-10(18-9)15(16)17/h2-6H,1H3,(H2,12,13,14).
What are the key properties of 4-methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine?
4-methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine has a molecular weight of 246.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 71402414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).