N-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine

C12H19N5O4 — CID 3725334

IUPACN-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine
SMILESCNCCOc1nc(N2CCOCC2)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O4/c1-9-10(17(18)19)11(21-6-3-13-2)15-12(14-9)16-4-7-20-8-5-16/h13H,3-8H2,1-2H3
InChIKeyAMHGUNHUEWUGEV-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.13
Rot. Bonds6

About N-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine

N-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine (PubChem CID 3725334) has the molecular formula C12H19N5O4 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine
PubChem CID3725334
Molecular FormulaC12H19N5O4
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC NameN-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine
SMILESCNCCOc1nc(N2CCOCC2)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O4/c1-9-10(17(18)19)11(21-6-3-13-2)15-12(14-9)16-4-7-20-8-5-16/h13H,3-8H2,1-2H3
InChIKeyAMHGUNHUEWUGEV-UHFFFAOYSA-N
XLogP0.13
TPSA102.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.13
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-benzyl-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 2913057
4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine
CID 10635583
2-(azepan-1-yl)-N,6-dimethyl-5-nitropyrimidin-4-amine
CID 131881447
N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 62744964
4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine
CID 3286273
N,5,6-trimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 62192217
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3,5-dinitrobenzamide
CID 90491741
4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile
CID 3698261
3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline
CID 11187877
4-(3,6-dibutoxy-2-nitrophenyl)morpholine
CID 14047752
ethyl 4-methyl-2-morpholin-4-yl-6-(4-nitrophenyl)pyrimidine-5-carboxylate
CID 132531713
4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline
CID 58060620

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine?
The IUPAC name of N-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine (CID 3725334) is N-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine.
What is the SMILES notation for N-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine?
The canonical SMILES for N-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine is CNCCOc1nc(N2CCOCC2)nc(C)c1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine?
The InChIKey is AMHGUNHUEWUGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-9-10(17(18)19)11(21-6-3-13-2)15-12(14-9)16-4-7-20-8-5-16/h13H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine?
N-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine has a molecular weight of 297.31 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine is sourced from PubChem (CID 3725334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).