N-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine

C13H20N4O — CID 114600858

IUPACN-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine
SMILESCOc1cnc(NC2CCNC3(CCC3)C2)nc1
InChIInChI=1S/C13H20N4O/c1-18-11-8-14-12(15-9-11)17-10-3-6-16-13(7-10)4-2-5-13/h8-10,16H,2-7H2,1H3,(H,14,15,17)
InChIKeyMJQTWIHYEAEXED-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.57
Rot. Bonds3

About N-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine

N-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine (PubChem CID 114600858) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine
PubChem CID114600858
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine
SMILESCOc1cnc(NC2CCNC3(CCC3)C2)nc1
InChIInChI=1S/C13H20N4O/c1-18-11-8-14-12(15-9-11)17-10-3-6-16-13(7-10)4-2-5-13/h8-10,16H,2-7H2,1H3,(H,14,15,17)
InChIKeyMJQTWIHYEAEXED-UHFFFAOYSA-N
XLogP1.57
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methoxypyrimidin-2-yl)azepan-3-amine
CID 114600932
N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine
CID 114600963
N-(5-azaspiro[3.5]nonan-8-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63617050
N-(5-azaspiro[3.5]nonan-8-yl)-2-methoxybenzenesulfonamide
CID 43597956
N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine
CID 62483877
8-methyl-5-azaspiro[3.5]nonane
CID 89432250
1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea
CID 61322127
3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one
CID 114600542
3-(5-azaspiro[3.5]nonan-8-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 80515034
3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62927609
N-(5-azaspiro[3.5]nonan-8-yl)-2-(2-methoxyphenyl)acetamide
CID 43595335
phenyl N-(5-azaspiro[3.5]nonan-8-yl)carbamate
CID 43596737

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine (CID 114600858) is N-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine is COc1cnc(NC2CCNC3(CCC3)C2)nc1.
What is the InChIKey of N-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine?
The InChIKey is MJQTWIHYEAEXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-18-11-8-14-12(15-9-11)17-10-3-6-16-13(7-10)4-2-5-13/h8-10,16H,2-7H2,1H3,(H,14,15,17).
What are the key properties of N-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine?
N-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine has a molecular weight of 248.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 114600858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).