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

C13H17N7O3 — CID 22538786

IUPAC6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1-n1ccnc1
InChIInChI=1S/C13H17N7O3/c21-20(22)11-12(15-2-3-18-5-7-23-8-6-18)16-9-17-13(11)19-4-1-14-10-19/h1,4,9-10H,2-3,5-8H2,(H,15,16,17)
InChIKeyGYTJMADTBRUEMX-UHFFFAOYSA-N
MW319.32 g/mol
LogP0.31
Rot. Bonds6

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

6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine (PubChem CID 22538786) has the molecular formula C13H17N7O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
PubChem CID22538786
Molecular FormulaC13H17N7O3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Name6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1-n1ccnc1
InChIInChI=1S/C13H17N7O3/c21-20(22)11-12(15-2-3-18-5-7-23-8-6-18)16-9-17-13(11)19-4-1-14-10-19/h1,4,9-10H,2-3,5-8H2,(H,15,16,17)
InChIKeyGYTJMADTBRUEMX-UHFFFAOYSA-N
XLogP0.31
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 2959291
N-ethyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 23487256
6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 22534884
N-(2-morpholin-4-ylethyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 23490582
4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 24903165
6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
CID 22537557
4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22533352
N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526884
6-N-(3-methoxypropyl)-4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22526593
4-N-cycloheptyl-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22538765
4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 24903164
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine
CID 22526197

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine (CID 22538786) is 6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1-n1ccnc1.
What is the InChIKey of 6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine?
The InChIKey is GYTJMADTBRUEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O3/c21-20(22)11-12(15-2-3-18-5-7-23-8-6-18)16-9-17-13(11)19-4-1-14-10-19/h1,4,9-10H,2-3,5-8H2,(H,15,16,17).
What are the key properties of 6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine?
6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine has a molecular weight of 319.32 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22538786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).