1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride

C13H22Cl4N4 — CID 53487221

IUPAC1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride
SMILESCl.Cl.Cl.Cl.c1ncc(N2CCC3(CC4CCN3C4)C2)cn1
InChIInChI=1S/C13H18N4.4ClH/c1-3-17-8-11(1)5-13(17)2-4-16(9-13)12-6-14-10-15-7-12;;;;/h6-7,10-11H,1-5,8-9H2;4*1H
InChIKeyYCGNNFFNGJOCOB-UHFFFAOYSA-N
MW376.16 g/mol
LogP2.84
Rot. Bonds1

About 1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride

1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride (PubChem CID 53487221) has the molecular formula C13H22Cl4N4 and a molecular weight of 376.16 g/mol. Its IUPAC name is 1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride.

Molecular Properties

Compound Name1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride
PubChem CID53487221
Molecular FormulaC13H22Cl4N4
Molecular Weight376.16 g/mol
Exact Mass374.06
IUPAC Name1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride
SMILESCl.Cl.Cl.Cl.c1ncc(N2CCC3(CC4CCN3C4)C2)cn1
InChIInChI=1S/C13H18N4.4ClH/c1-3-17-8-11(1)5-13(17)2-4-16(9-13)12-6-14-10-15-7-12;;;;/h6-7,10-11H,1-5,8-9H2;4*1H
InChIKeyYCGNNFFNGJOCOB-UHFFFAOYSA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.16
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride
CID 22291226
2-spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-yl-1,3,4-oxadiazole
CID 10443455
5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole
CID 10036974
5-piperazin-1-ylpyrimidine;hydrochloride
CID 69201469
3-cyclohexyl-1-pyrimidin-5-yl-1,4-diazepane
CID 107590166
(5-cyclopropyl-1,2-oxazol-3-yl)-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
CID 131696490
4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine
CID 125014647
1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]
CID 10267603
2-(1-pyrimidin-5-ylpiperidin-3-yl)pyrazine
CID 110254321
3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane
CID 15750249
1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine]
CID 68577015
(3aR,6aR)-5-methyl-1-[4-(4-pyrimidin-5-ylpiperazin-1-yl)phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 24743743

Frequently Asked Questions

What is the IUPAC name of 1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride?
The IUPAC name of 1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride (CID 53487221) is 1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride.
What is the SMILES notation for 1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride?
The canonical SMILES for 1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride is Cl.Cl.Cl.Cl.c1ncc(N2CCC3(CC4CCN3C4)C2)cn1.
What is the InChIKey of 1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride?
The InChIKey is YCGNNFFNGJOCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4.4ClH/c1-3-17-8-11(1)5-13(17)2-4-16(9-13)12-6-14-10-15-7-12;;;;/h6-7,10-11H,1-5,8-9H2;4*1H.
What are the key properties of 1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride?
1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride has a molecular weight of 376.16 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride is sourced from PubChem (CID 53487221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).