[6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol

C13H20N4O4 — CID 114782729

IUPAC[6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol
SMILESCNc1ccc([N+](=O)[O-])c(N2CC(CO)OC(C)(C)C2)n1
InChIInChI=1S/C13H20N4O4/c1-13(2)8-16(6-9(7-18)21-13)12-10(17(19)20)4-5-11(14-3)15-12/h4-5,9,18H,6-8H2,1-3H3,(H,14,15)
InChIKeyMVDCPCYYCMIETD-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.01
Rot. Bonds4

About [6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol

[6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol (PubChem CID 114782729) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is [6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol
PubChem CID114782729
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name[6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol
SMILESCNc1ccc([N+](=O)[O-])c(N2CC(CO)OC(C)(C)C2)n1
InChIInChI=1S/C13H20N4O4/c1-13(2)8-16(6-9(7-18)21-13)12-10(17(19)20)4-5-11(14-3)15-12/h4-5,9,18H,6-8H2,1-3H3,(H,14,15)
InChIKeyMVDCPCYYCMIETD-UHFFFAOYSA-N
XLogP1.01
TPSA100.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
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

[6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol
CID 114779409
N-methyl-5-nitro-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-2-amine
CID 80834541
N-methyl-5-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-2-amine
CID 80851114
6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80766974
2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114802883
[4-(4-chloro-2-nitrophenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779472
[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 80794786
[4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114777961
N,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide
CID 106322383
[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114782658
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-5-nitropyridin-2-amine
CID 81469195
6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-5-nitropyridin-2-amine
CID 80844291

Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol?
The IUPAC name of [6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol (CID 114782729) is [6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol?
The canonical SMILES for [6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol is CNc1ccc([N+](=O)[O-])c(N2CC(CO)OC(C)(C)C2)n1.
What is the InChIKey of [6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol?
The InChIKey is MVDCPCYYCMIETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-13(2)8-16(6-9(7-18)21-13)12-10(17(19)20)4-5-11(14-3)15-12/h4-5,9,18H,6-8H2,1-3H3,(H,14,15).
What are the key properties of [6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol?
[6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol has a molecular weight of 296.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol is sourced from PubChem (CID 114782729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).