6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine

C11H17N5O3 — CID 38739450

IUPAC6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine
SMILESCNc1ncnc(N2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O3/c1-7-4-15(5-8(2)19-7)11-9(16(17)18)10(12-3)13-6-14-11/h6-8H,4-5H2,1-3H3,(H,12,13,14)/t7-,8+
InChIKeyCZNMQGLGGIHRNB-OCAPTIKFSA-N
MW267.29 g/mol
LogP1.04
Rot. Bonds3

About 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine

6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine (PubChem CID 38739450) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine
PubChem CID38739450
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine
SMILESCNc1ncnc(N2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O3/c1-7-4-15(5-8(2)19-7)11-9(16(17)18)10(12-3)13-6-14-11/h6-8H,4-5H2,1-3H3,(H,12,13,14)/t7-,8+
InChIKeyCZNMQGLGGIHRNB-OCAPTIKFSA-N
XLogP1.04
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
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-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethylpyrimidin-4-amine
CID 104961748
[4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol
CID 102939074
6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine
CID 112726566
N-methyl-5-nitro-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 112730962
[1-[6-(methylamino)-5-nitropyrimidin-4-yl]piperidin-3-yl]methanol
CID 112726492
1-[6-(methylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
CID 23487046
ethyl 4-[[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 3717283
1-[6-(methylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxamide
CID 112725358
N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23486885
4-[6-(methylamino)-5-nitropyrimidin-4-yl]piperazin-2-one
CID 112725374
6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80763913
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-N-methyl-5-nitropyrimidine-2,4-diamine
CID 7529873

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine (CID 38739450) is 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine is CNc1ncnc(N2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-].
What is the InChIKey of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine?
The InChIKey is CZNMQGLGGIHRNB-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-7-4-15(5-8(2)19-7)11-9(16(17)18)10(12-3)13-6-14-11/h6-8H,4-5H2,1-3H3,(H,12,13,14)/t7-,8+.
What are the key properties of 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine?
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine has a molecular weight of 267.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 38739450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).