4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine

C12H18N4O3 — CID 24903164

IUPAC4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
SMILESCc1ccnc(NCCN2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-10-2-3-13-12(11(10)16(17)18)14-4-5-15-6-8-19-9-7-15/h2-3H,4-9H2,1H3,(H,13,14)
InChIKeyKUJJVSXNSHGHDD-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.04
Rot. Bonds5

About 4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine

4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine (PubChem CID 24903164) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
PubChem CID24903164
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
SMILESCc1ccnc(NCCN2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-10-2-3-13-12(11(10)16(17)18)14-4-5-15-6-8-19-9-7-15/h2-3H,4-9H2,1H3,(H,13,14)
InChIKeyKUJJVSXNSHGHDD-UHFFFAOYSA-N
XLogP1.04
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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

4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 24903165
4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 2959291
4-N-(5-chloro-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 23486009
4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one
CID 135709667
6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
CID 22537557
6-N-(3-methoxypropyl)-4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22526593
4-methyl-N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
CID 22536934
4-N-[(4-chlorophenyl)methyl]-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22534952
4-N,4-N-bis(2-methylpropyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 23493066
N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526884
4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22533352
N-[4-[[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 22538128

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine?
The IUPAC name of 4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine (CID 24903164) is 4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine?
The canonical SMILES for 4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine is Cc1ccnc(NCCN2CCOCC2)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine?
The InChIKey is KUJJVSXNSHGHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-10-2-3-13-12(11(10)16(17)18)14-4-5-15-6-8-19-9-7-15/h2-3H,4-9H2,1H3,(H,13,14).
What are the key properties of 4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine?
4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine has a molecular weight of 266.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 24903164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).