5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride

C13H16ClN3O2 — CID 155273088

IUPAC5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride
SMILESCOc1nccc(N2CCC(C(=O)Cl)C3(CC3)C2)n1
InChIInChI=1S/C13H16ClN3O2/c1-19-12-15-6-2-10(16-12)17-7-3-9(11(14)18)13(8-17)4-5-13/h2,6,9H,3-5,7-8H2,1H3
InChIKeyCGHIZXKCXYNBAK-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.86
Rot. Bonds3

About 5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride

5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride (PubChem CID 155273088) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride.

Molecular Properties

Compound Name5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride
PubChem CID155273088
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride
SMILESCOc1nccc(N2CCC(C(=O)Cl)C3(CC3)C2)n1
InChIInChI=1S/C13H16ClN3O2/c1-19-12-15-6-2-10(16-12)17-7-3-9(11(14)18)13(8-17)4-5-13/h2,6,9H,3-5,7-8H2,1H3
InChIKeyCGHIZXKCXYNBAK-UHFFFAOYSA-N
XLogP1.86
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
N-(2-ethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
CID 53189238
(3aR,6aS)-2-(2-methoxypyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 167026643
S-(4-fluorophenyl) N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamothioate
CID 118191153
5-(4-isocyanopyrimidin-2-yl)-5-azaspiro[2.5]octane-8-carboxylic acid
CID 164829643
1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
CID 118190332
N-(2,4-dimethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
CID 53189218
N-(4-methoxy-2-methylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
CID 53189262
tert-butyl 2-(2-methoxypyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 155277239
ethane;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid
CID 142408683
1-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]hydrazine
CID 122643476
[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone
CID 146237518

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride?
The IUPAC name of 5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride (CID 155273088) is 5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride.
What is the SMILES notation for 5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride?
The canonical SMILES for 5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride is COc1nccc(N2CCC(C(=O)Cl)C3(CC3)C2)n1.
What is the InChIKey of 5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride?
The InChIKey is CGHIZXKCXYNBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-19-12-15-6-2-10(16-12)17-7-3-9(11(14)18)13(8-17)4-5-13/h2,6,9H,3-5,7-8H2,1H3.
What are the key properties of 5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride?
5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride has a molecular weight of 281.74 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride is sourced from PubChem (CID 155273088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).