2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine

C17H28N4O — CID 124576053

IUPAC2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine
SMILESCCO[C@@H]1C[C@@H](N(C)Cc2nccc(N)n2)C12CCCCC2
InChIInChI=1S/C17H28N4O/c1-3-22-14-11-13(17(14)8-5-4-6-9-17)21(2)12-16-19-10-7-15(18)20-16/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3,(H2,18,19,20)/t13-,14-/m1/s1
InChIKeyZCRKFSAKVRYHGR-ZIAGYGMSSA-N
MW304.44 g/mol
LogP2.62
Rot. Bonds5

About 2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine

2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine (PubChem CID 124576053) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine
PubChem CID124576053
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine
SMILESCCO[C@@H]1C[C@@H](N(C)Cc2nccc(N)n2)C12CCCCC2
InChIInChI=1S/C17H28N4O/c1-3-22-14-11-13(17(14)8-5-4-6-9-17)21(2)12-16-19-10-7-15(18)20-16/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3,(H2,18,19,20)/t13-,14-/m1/s1
InChIKeyZCRKFSAKVRYHGR-ZIAGYGMSSA-N
XLogP2.62
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901051
(1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane
CID 99774644
6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile
CID 133356894
N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine
CID 133356876
2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylacetamide
CID 119335015
(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine
CID 95566836
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
CID 128973335
[(3S)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
CID 129474779
4-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]butanoic acid
CID 119138143
1-(azepan-1-yl)-2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]ethanone
CID 102558006
(1R,3S)-3-ethoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]spiro[3.3]heptan-1-amine
CID 129358925
4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide
CID 124683871

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine (CID 124576053) is 2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine is CCO[C@@H]1C[C@@H](N(C)Cc2nccc(N)n2)C12CCCCC2.
What is the InChIKey of 2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine?
The InChIKey is ZCRKFSAKVRYHGR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H28N4O/c1-3-22-14-11-13(17(14)8-5-4-6-9-17)21(2)12-16-19-10-7-15(18)20-16/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3,(H2,18,19,20)/t13-,14-/m1/s1.
What are the key properties of 2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine?
2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine has a molecular weight of 304.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-methylamino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 124576053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).