N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

C14H20N6O — CID 72709190

IUPACN-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESCOc1cc(NC2=NCC3(CN4CCC3CC4)N2)ncn1
InChIInChI=1S/C14H20N6O/c1-21-12-6-11(16-9-17-12)18-13-15-7-14(19-13)8-20-4-2-10(14)3-5-20/h6,9-10H,2-5,7-8H2,1H3,(H2,15,16,17,18,19)
InChIKeyJWLSNESQFPBZHL-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.32
Rot. Bonds2

About N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (PubChem CID 72709190) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
PubChem CID72709190
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESCOc1cc(NC2=NCC3(CN4CCC3CC4)N2)ncn1
InChIInChI=1S/C14H20N6O/c1-21-12-6-11(16-9-17-12)18-13-15-7-14(19-13)8-20-4-2-10(14)3-5-20/h6,9-10H,2-5,7-8H2,1H3,(H2,15,16,17,18,19)
InChIKeyJWLSNESQFPBZHL-UHFFFAOYSA-N
XLogP0.32
TPSA74.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(R)-N-(6-methoxypyrimidin-4-yl)-4H-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine
CID 52920232
(3R)-N-(4-methoxypyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 137649905
(3aS,7aS)-2-(6-methoxypyrimidin-4-yl)-5-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97402573
(3R)-N-[6-(2-fluoroethoxy)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 88990266
(2R)-N-[6-(2,2-difluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine
CID 141251307
(2R)-N-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-amine
CID 141251351
4-[4-(Fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine
CID 172880666
4-[3-(Fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine
CID 172882593
9-(6-Methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97491908
1-Ethyl-9-(6-methoxypyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495795
8-(6-Methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one
CID 131651352
1-(6-Methoxypyrimidin-4-yl)piperidin-4-amine hydrochloride
CID 45787083

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (CID 72709190) is N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is COc1cc(NC2=NCC3(CN4CCC3CC4)N2)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The InChIKey is JWLSNESQFPBZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-21-12-6-11(16-9-17-12)18-13-15-7-14(19-13)8-20-4-2-10(14)3-5-20/h6,9-10H,2-5,7-8H2,1H3,(H2,15,16,17,18,19).
What are the key properties of N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine has a molecular weight of 288.35 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is sourced from PubChem (CID 72709190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).