6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine

C10H12N6O3 — CID 22534884

IUPAC6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
SMILESCOCCNc1ncnc(-n2ccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N6O3/c1-19-5-3-12-9-8(16(17)18)10(14-6-13-9)15-4-2-11-7-15/h2,4,6-7H,3,5H2,1H3,(H,12,13,14)
InChIKeyIYXQWBQSRCNZQE-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.63
Rot. Bonds6

About 6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine

6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine (PubChem CID 22534884) has the molecular formula C10H12N6O3 and a molecular weight of 264.25 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
PubChem CID22534884
Molecular FormulaC10H12N6O3
Molecular Weight264.25 g/mol
Exact Mass264.10
IUPAC Name6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
SMILESCOCCNc1ncnc(-n2ccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N6O3/c1-19-5-3-12-9-8(16(17)18)10(14-6-13-9)15-4-2-11-7-15/h2,4,6-7H,3,5H2,1H3,(H,12,13,14)
InChIKeyIYXQWBQSRCNZQE-UHFFFAOYSA-N
XLogP0.63
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 23487256
6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
CID 22538786
6-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 22534887
6-(2,2-dimethylhydrazinyl)-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 22528115
6-N-butyl-4-N-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine
CID 23486771
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23491955
N,N-diethyl-4-[(6-imidazol-1-yl-5-nitropyrimidin-4-yl)amino]benzenesulfonamide
CID 22527923
N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82454625
6-N-(2-methoxyethyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 22531057
N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 22531273
4-N-[2-(2-methoxyethoxy)ethyl]-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80793151
ethyl 1-[6-(2-methoxyethylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 23494177

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine (CID 22534884) is 6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine is COCCNc1ncnc(-n2ccnc2)c1[N+](=O)[O-].
What is the InChIKey of 6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine?
The InChIKey is IYXQWBQSRCNZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-19-5-3-12-9-8(16(17)18)10(14-6-13-9)15-4-2-11-7-15/h2,4,6-7H,3,5H2,1H3,(H,12,13,14).
What are the key properties of 6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine?
6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine has a molecular weight of 264.25 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22534884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).