6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine

C11H17N5O3 — CID 80789029

IUPAC6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine
SMILESCCC1COCCN1c1ncnc(NC)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O3/c1-3-8-6-19-5-4-15(8)11-9(16(17)18)10(12-2)13-7-14-11/h7-8H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyMMJLMOLGXIYSDJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.04
Rot. Bonds4

About 6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine

6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine (PubChem CID 80789029) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine
PubChem CID80789029
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine
SMILESCCC1COCCN1c1ncnc(NC)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O3/c1-3-8-6-19-5-4-15(8)11-9(16(17)18)10(12-2)13-7-14-11/h7-8H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyMMJLMOLGXIYSDJ-UHFFFAOYSA-N
XLogP1.04
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.04
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-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methyl-5-nitropyrimidin-4-amine
CID 80823234
6-(2-ethylpyrrolidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80793978
N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23486885
4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine
CID 61375480
5-[(dimethylamino)methyl]-1-[6-(methylamino)-5-nitropyrimidin-4-yl]pyrrolidin-3-ol
CID 80831961
6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine
CID 80798120
4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine
CID 62102340
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492445
6-N-methyl-5-nitro-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine
CID 80853472
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine
CID 38739450
6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine
CID 23487272
6-(2-ethylpiperidin-1-yl)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 23492438

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine (CID 80789029) is 6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine is CCC1COCCN1c1ncnc(NC)c1[N+](=O)[O-].
What is the InChIKey of 6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine?
The InChIKey is MMJLMOLGXIYSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-3-8-6-19-5-4-15(8)11-9(16(17)18)10(12-2)13-7-14-11/h7-8H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine?
6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine has a molecular weight of 267.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80789029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).