1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

C17H28N4O — CID 135095110

IUPAC1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESCOCCCN1CCCC2(CCc3cnc(N(C)C)nc32)C1
InChIInChI=1S/C17H28N4O/c1-20(2)16-18-12-14-6-8-17(15(14)19-16)7-4-9-21(13-17)10-5-11-22-3/h12H,4-11,13H2,1-3H3
InChIKeyYKALTGOMZHRMDI-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.86
Rot. Bonds5

About 1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (PubChem CID 135095110) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.

Molecular Properties

Compound Name1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
PubChem CID135095110
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESCOCCCN1CCCC2(CCc3cnc(N(C)C)nc32)C1
InChIInChI=1S/C17H28N4O/c1-20(2)16-18-12-14-6-8-17(15(14)19-16)7-4-9-21(13-17)10-5-11-22-3/h12H,4-11,13H2,1-3H3
InChIKeyYKALTGOMZHRMDI-UHFFFAOYSA-N
XLogP1.86
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1'-[3-(4-fluorophenoxy)propyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135112042
4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]butanoic acid
CID 135098208
N,N-dimethyl-1'-(2-morpholin-4-ylethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135112937
3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propanoic acid
CID 135088105
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 135090093
N,N-dimethyl-1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135105005
N,N-dimethyl-1'-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135107490
1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135099027
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135098870
5-[[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methyl]-2-methoxybenzoic acid
CID 163310429
6-[[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methyl]pyridine-2-carboxylic acid
CID 135091937
1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135111728

Frequently Asked Questions

What is the IUPAC name of 1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The IUPAC name of 1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (CID 135095110) is 1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.
What is the SMILES notation for 1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The canonical SMILES for 1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is COCCCN1CCCC2(CCc3cnc(N(C)C)nc32)C1.
What is the InChIKey of 1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The InChIKey is YKALTGOMZHRMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-20(2)16-18-12-14-6-8-17(15(14)19-16)7-4-9-21(13-17)10-5-11-22-3/h12H,4-11,13H2,1-3H3.
What are the key properties of 1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine has a molecular weight of 304.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methoxypropyl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is sourced from PubChem (CID 135095110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).