4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine

C13H23N5O3 — CID 130205757

IUPAC4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine
SMILESCNc1nc(OC(C)C)c([N+](=O)[O-])c(CCN(C)C)c1N
InChIInChI=1S/C13H23N5O3/c1-8(2)21-13-11(18(19)20)9(6-7-17(4)5)10(14)12(15-3)16-13/h8H,6-7,14H2,1-5H3,(H,15,16)
InChIKeyZIDYZUVENULBKJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.50
Rot. Bonds7

About 4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine

4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine (PubChem CID 130205757) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine
PubChem CID130205757
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine
SMILESCNc1nc(OC(C)C)c([N+](=O)[O-])c(CCN(C)C)c1N
InChIInChI=1S/C13H23N5O3/c1-8(2)21-13-11(18(19)20)9(6-7-17(4)5)10(14)12(15-3)16-13/h8H,6-7,14H2,1-5H3,(H,15,16)
InChIKeyZIDYZUVENULBKJ-UHFFFAOYSA-N
XLogP1.50
TPSA106.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.50
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

2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine
CID 118861324
4-N-methyl-2-methylsulfanyl-6-propan-2-yloxypyrimidine-4,5-diamine
CID 144995624
4-N-[2-(dimethylamino)ethyl]-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 113221961
3-nitro-5-propan-2-yloxypyridin-4-amine
CID 130057896
N-(6-methoxy-2-methyl-5-nitropyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454682
4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine
CID 175382524
3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine
CID 141403331
(5-nitro-6-propan-2-yloxy-2-pyridinyl)hydrazine
CID 80911273
1-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-nitro-5-propan-2-yloxybenzene-1,4-diamine
CID 140851194
6-N-methyl-4-N-(2-methylpropyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80820646
N-methyl-6-(3-methylbutoxy)-5-nitropyrimidin-4-amine
CID 80858601
4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 78958736

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine (CID 130205757) is 4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine is CNc1nc(OC(C)C)c([N+](=O)[O-])c(CCN(C)C)c1N.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine?
The InChIKey is ZIDYZUVENULBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-8(2)21-13-11(18(19)20)9(6-7-17(4)5)10(14)12(15-3)16-13/h8H,6-7,14H2,1-5H3,(H,15,16).
What are the key properties of 4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine?
4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine has a molecular weight of 297.36 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine is sourced from PubChem (CID 130205757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).