N-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine

C7H10N4O3 — CID 62349046

IUPACN-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine
SMILESCNCCOc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C7H10N4O3/c1-8-2-3-14-7-9-4-6(5-10-7)11(12)13/h4-5,8H,2-3H2,1H3
InChIKeyXWFMFJWGASPYFV-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.02
Rot. Bonds5

About N-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine

N-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine (PubChem CID 62349046) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is N-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine.

Molecular Properties

Compound NameN-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine
PubChem CID62349046
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC NameN-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine
SMILESCNCCOc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C7H10N4O3/c1-8-2-3-14-7-9-4-6(5-10-7)11(12)13/h4-5,8H,2-3H2,1H3
InChIKeyXWFMFJWGASPYFV-UHFFFAOYSA-N
XLogP-0.02
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze N-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-(5-nitropyrimidin-2-yl)oxypropan-1-amine
CID 114783130
(2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol
CID 139508595
2-(3-bromo-5-nitrophenoxy)-N-methylethanamine
CID 103588685
N-(2-butoxyethyl)-5-nitropyrimidin-2-amine
CID 61169725
1-[2-(methylamino)ethyl]-5-nitropyrimidin-2-one
CID 83831471
N,2-dimethyl-N'-(5-nitropyrimidin-2-yl)propane-1,3-diamine
CID 115303176
N-[3-(2-methoxyethoxy)propyl]-5-nitropyrimidin-2-amine
CID 113434393
[2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol
CID 176908438
N-[2-(4-aminophenoxy)ethyl]-5-nitropyrimidin-2-amine
CID 63238244
N-methyl-1-(5-nitro-2-pyridinyl)methanamine
CID 144940815
2-(3-ethoxy-4-methylphenoxy)-5-nitropyrimidine
CID 67236723
4-(5-nitropyrimidin-2-yl)oxyaniline
CID 61147692

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine?
The IUPAC name of N-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine (CID 62349046) is N-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine.
What is the SMILES notation for N-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine?
The canonical SMILES for N-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine is CNCCOc1ncc([N+](=O)[O-])cn1.
What is the InChIKey of N-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine?
The InChIKey is XWFMFJWGASPYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-8-2-3-14-7-9-4-6(5-10-7)11(12)13/h4-5,8H,2-3H2,1H3.
What are the key properties of N-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine?
N-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine has a molecular weight of 198.18 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-nitropyrimidin-2-yl)oxyethanamine is sourced from PubChem (CID 62349046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).