6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine

C11H17N5O3 — CID 80806123

IUPAC6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCCOC1CCCN(c2ncnc(N)c2[N+](=O)[O-])C1
InChIInChI=1S/C11H17N5O3/c1-2-19-8-4-3-5-15(6-8)11-9(16(17)18)10(12)13-7-14-11/h7-8H,2-6H2,1H3,(H2,12,13,14)
InChIKeyKILGWIGVEXAVGW-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.97
Rot. Bonds4

About 6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine

6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine (PubChem CID 80806123) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine
PubChem CID80806123
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCCOC1CCCN(c2ncnc(N)c2[N+](=O)[O-])C1
InChIInChI=1S/C11H17N5O3/c1-2-19-8-4-3-5-15(6-8)11-9(16(17)18)10(12)13-7-14-11/h7-8H,2-6H2,1H3,(H2,12,13,14)
InChIKeyKILGWIGVEXAVGW-UHFFFAOYSA-N
XLogP0.97
TPSA107.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
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-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine
CID 7067023
3-(3-ethoxypiperidin-1-yl)-2-nitroaniline
CID 80805662
2-(3-ethoxypiperidin-1-yl)-3-nitropyridine
CID 133274264
6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine
CID 80798120
3-ethoxy-1-(4-nitrophenyl)piperidine
CID 75917775
6-(3-methoxypiperidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 102971520
4-chloro-6-(4-ethoxypiperidin-1-yl)-5-nitropyrimidine
CID 62100534
[6-(3-ethoxypiperidin-1-yl)-5-ethylpyrimidin-4-yl]hydrazine
CID 80905523
4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine
CID 63022907
1-[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489697
4-(6-amino-5-nitropyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887830
6-(3-morpholin-4-ylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine
CID 80812097

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine (CID 80806123) is 6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine is CCOC1CCCN(c2ncnc(N)c2[N+](=O)[O-])C1.
What is the InChIKey of 6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine?
The InChIKey is KILGWIGVEXAVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-2-19-8-4-3-5-15(6-8)11-9(16(17)18)10(12)13-7-14-11/h7-8H,2-6H2,1H3,(H2,12,13,14).
What are the key properties of 6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine?
6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine has a molecular weight of 267.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80806123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).