N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine

C9H10N6O2 — CID 23487256

IUPACN-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine
SMILESCCNc1ncnc(-n2ccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C9H10N6O2/c1-2-11-8-7(15(16)17)9(13-5-12-8)14-4-3-10-6-14/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyFJUXTNKRGIIRKA-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.00
Rot. Bonds4

About N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine

N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine (PubChem CID 23487256) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine
PubChem CID23487256
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC NameN-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine
SMILESCCNc1ncnc(-n2ccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C9H10N6O2/c1-2-11-8-7(15(16)17)9(13-5-12-8)14-4-3-10-6-14/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyFJUXTNKRGIIRKA-UHFFFAOYSA-N
XLogP1.00
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 22534884
6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
CID 22538786
N,N-diethyl-4-[(6-imidazol-1-yl-5-nitropyrimidin-4-yl)amino]benzenesulfonamide
CID 22527923
N-ethyl-6-imidazol-1-yl-5-propan-2-ylpyrimidin-4-amine
CID 80853860
N-ethyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine
CID 80857998
6-N-ethyl-4-N-(1-imidazol-1-ylpropan-2-yl)-5-nitropyrimidine-4,6-diamine
CID 80782851
N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 22531273
N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 22538661
N-ethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23487085
N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine
CID 22537695
N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 22534507
6-N-ethyl-5-nitro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80809506

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine?
The IUPAC name of N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine (CID 23487256) is N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine is CCNc1ncnc(-n2ccnc2)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine?
The InChIKey is FJUXTNKRGIIRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-2-11-8-7(15(16)17)9(13-5-12-8)14-4-3-10-6-14/h3-6H,2H2,1H3,(H,11,12,13).
What are the key properties of N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine?
N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine has a molecular weight of 234.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23487256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).