4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine

C11H11N5O3 — CID 6864876

IUPAC4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C/c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C11H11N5O3/c1-7-5-8(2)14-11(13-7)15-12-6-9-3-4-10(19-9)16(17)18/h3-6H,1-2H3,(H,13,14,15)/b12-6+
InChIKeyIGKUEXHMULJANR-WUXMJOGZSA-N
MW261.24 g/mol
LogP2.04
Rot. Bonds4

About 4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine

4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine (PubChem CID 6864876) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine
PubChem CID6864876
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C/c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C11H11N5O3/c1-7-5-8(2)14-11(13-7)15-12-6-9-3-4-10(19-9)16(17)18/h3-6H,1-2H3,(H,13,14,15)/b12-6+
InChIKeyIGKUEXHMULJANR-WUXMJOGZSA-N
XLogP2.04
TPSA106.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

Furalazine
CID 6436102
N-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide
CID 802584
2-N-[(5-nitrofuran-2-yl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3110405
6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine
CID 5346926
4-N,6-N-diethyl-2-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 9570273
4-Nitrobenzaldehyde (4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)hydrazone
CID 9585338
6-{(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl}-N,N'-diphenyl-1,3,5-triazine-2,4-diamine
CID 9592858
2-N,2-N,4-N,4-N-tetramethyl-6-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 9996112
2-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 10106840
4-N-methyl-2-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 11323405
2-N,2-N-dimethyl-4-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 11460541
4-N,6-N-dimethyl-2-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 44398754

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine (CID 6864876) is 4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine is Cc1cc(C)nc(N/N=C/c2ccc([N+](=O)[O-])o2)n1.
What is the InChIKey of 4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine?
The InChIKey is IGKUEXHMULJANR-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-7-5-8(2)14-11(13-7)15-12-6-9-3-4-10(19-9)16(17)18/h3-6H,1-2H3,(H,13,14,15)/b12-6+.
What are the key properties of 4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine?
4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine has a molecular weight of 261.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 6864876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).