1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione

C11H11N5O5 — CID 6273750

IUPAC1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione
SMILESCn1c(N/N=C\c2ccc([N+](=O)[O-])o2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H11N5O5/c1-14-8(5-9(17)15(2)11(14)18)13-12-6-7-3-4-10(21-7)16(19)20/h3-6,13H,1-2H3/b12-6-
InChIKeyXQQXZBFFXSIVDC-SDQBBNPISA-N
MW293.24 g/mol
LogP0.03
Rot. Bonds4

About 1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione (PubChem CID 6273750) has the molecular formula C11H11N5O5 and a molecular weight of 293.24 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione
PubChem CID6273750
Molecular FormulaC11H11N5O5
Molecular Weight293.24 g/mol
Exact Mass293.08
IUPAC Name1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione
SMILESCn1c(N/N=C\c2ccc([N+](=O)[O-])o2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H11N5O5/c1-14-8(5-9(17)15(2)11(14)18)13-12-6-7-3-4-10(21-7)16(19)20/h3-6,13H,1-2H3/b12-6-
InChIKeyXQQXZBFFXSIVDC-SDQBBNPISA-N
XLogP0.03
TPSA124.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine
CID 5339902
6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 6299832
4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine
CID 6248090
N-[(5-nitrofuran-2-yl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 4055851
2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]benzoate
CID 7441988
2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]benzoic acid
CID 3584414
N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine
CID 2732920
N-[(5-nitrofuran-2-yl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 4702631
4-hydroxy-1-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-oxoquinoline-3-carboxamide
CID 54688251
tert-butyl N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6036448
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 825585

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione (CID 6273750) is 1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione is Cn1c(N/N=C\c2ccc([N+](=O)[O-])o2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione?
The InChIKey is XQQXZBFFXSIVDC-SDQBBNPISA-N. The full InChI is InChI=1S/C11H11N5O5/c1-14-8(5-9(17)15(2)11(14)18)13-12-6-7-3-4-10(21-7)16(19)20/h3-6,13H,1-2H3/b12-6-.
What are the key properties of 1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione has a molecular weight of 293.24 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione is sourced from PubChem (CID 6273750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).