6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine

C12H18N4O3 — CID 80712207

IUPAC6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine
SMILESCc1nc(NCC2CN(C)CCO2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-9-11(16(17)18)3-4-12(14-9)13-7-10-8-15(2)5-6-19-10/h3-4,10H,5-8H2,1-2H3,(H,13,14)
InChIKeyPKNOTOWHMGQAMB-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.04
Rot. Bonds4

About 6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine

6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine (PubChem CID 80712207) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine
PubChem CID80712207
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine
SMILESCc1nc(NCC2CN(C)CCO2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-9-11(16(17)18)3-4-12(14-9)13-7-10-8-15(2)5-6-19-10/h3-4,10H,5-8H2,1-2H3,(H,13,14)
InChIKeyPKNOTOWHMGQAMB-UHFFFAOYSA-N
XLogP1.04
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 80718009
3-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]-4-nitroaniline
CID 79083323
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-4-methylsulfonyl-2-nitroaniline
CID 95047975
CID 139465682
CID 139465682
6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
CID 79070964
4-fluoro-5-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-2-nitroaniline
CID 133360531
2-[(4-methylmorpholin-2-yl)methylamino]-5-nitrobenzoic acid
CID 79082131
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-3-nitrobenzamide
CID 103800166
2-chloro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-nitroaniline
CID 94825699
2-bromo-N-[(4-methylmorpholin-2-yl)methyl]-4-nitroaniline
CID 79034182
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219
6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine
CID 80718381

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine?
The IUPAC name of 6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine (CID 80712207) is 6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine?
The canonical SMILES for 6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine is Cc1nc(NCC2CN(C)CCO2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine?
The InChIKey is PKNOTOWHMGQAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-9-11(16(17)18)3-4-12(14-9)13-7-10-8-15(2)5-6-19-10/h3-4,10H,5-8H2,1-2H3,(H,13,14).
What are the key properties of 6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine?
6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine has a molecular weight of 266.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 80712207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).