N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine

C17H27N3O — CID 133356876

IUPACN-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCCOC1CC(N(C)c2cc(C)ncn2)C12CCCCC2
InChIInChI=1S/C17H27N3O/c1-4-21-15-11-14(17(15)8-6-5-7-9-17)20(3)16-10-13(2)18-12-19-16/h10,12,14-15H,4-9,11H2,1-3H3
InChIKeyITXPBEFLJITQDK-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.35
Rot. Bonds4

About N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine

N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 133356876) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine
PubChem CID133356876
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCCOC1CC(N(C)c2cc(C)ncn2)C12CCCCC2
InChIInChI=1S/C17H27N3O/c1-4-21-15-11-14(17(15)8-6-5-7-9-17)20(3)16-10-13(2)18-12-19-16/h10,12,14-15H,4-9,11H2,1-3H3
InChIKeyITXPBEFLJITQDK-UHFFFAOYSA-N
XLogP3.35
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile
CID 133356894
N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine
CID 133443597
5-chloro-6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carboxamide
CID 133356557
(1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane
CID 99774644
2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine
CID 124576053
5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901051
5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide
CID 99700115
N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 99697666
2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylacetamide
CID 119335015
6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide
CID 97317791
(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine
CID 95566836
1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone
CID 102558006

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine (CID 133356876) is N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine is CCOC1CC(N(C)c2cc(C)ncn2)C12CCCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is ITXPBEFLJITQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-21-15-11-14(17(15)8-6-5-7-9-17)20(3)16-10-13(2)18-12-19-16/h10,12,14-15H,4-9,11H2,1-3H3.
What are the key properties of N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine?
N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 289.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 133356876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).