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

C16H26N6O4 — CID 7529008

IUPAC6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine
SMILESC[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)O[C@@H](C)C3)n2)C[C@H](C)O1
InChIInChI=1S/C16H26N6O4/c1-9-5-20(6-10(2)25-9)15-13(22(23)24)14(17)18-16(19-15)21-7-11(3)26-12(4)8-21/h9-12H,5-8H2,1-4H3,(H2,17,18,19)/t9-,10-,11-,12+/m0/s1
InChIKeyJLOPEXXOVOGYRH-FIQHERPVSA-N
MW366.42 g/mol
LogP1.19
Rot. Bonds3

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

6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine (PubChem CID 7529008) has the molecular formula C16H26N6O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine
PubChem CID7529008
Molecular FormulaC16H26N6O4
Molecular Weight366.42 g/mol
Exact Mass366.20
IUPAC Name6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine
SMILESC[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)O[C@@H](C)C3)n2)C[C@H](C)O1
InChIInChI=1S/C16H26N6O4/c1-9-5-20(6-10(2)25-9)15-13(22(23)24)14(17)18-16(19-15)21-7-11(3)26-12(4)8-21/h9-12H,5-8H2,1-4H3,(H2,17,18,19)/t9-,10-,11-,12+/m0/s1
InChIKeyJLOPEXXOVOGYRH-FIQHERPVSA-N
XLogP1.19
TPSA119.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine?
The IUPAC name of 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine (CID 7529008) is 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine is C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)O[C@@H](C)C3)n2)C[C@H](C)O1.
What is the InChIKey of 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine?
The InChIKey is JLOPEXXOVOGYRH-FIQHERPVSA-N. The full InChI is InChI=1S/C16H26N6O4/c1-9-5-20(6-10(2)25-9)15-13(22(23)24)14(17)18-16(19-15)21-7-11(3)26-12(4)8-21/h9-12H,5-8H2,1-4H3,(H2,17,18,19)/t9-,10-,11-,12+/m0/s1.
What are the key properties of 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine?
6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine has a molecular weight of 366.42 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 7529008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).