3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride

C16H26Cl2N4 — CID 154902532

IUPAC3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
SMILESCl.Cl.NC1CC(c2cc(N3CCC4(CCCC4)C3)ncn2)C1
InChIInChI=1S/C16H24N4.2ClH/c17-13-7-12(8-13)14-9-15(19-11-18-14)20-6-5-16(10-20)3-1-2-4-16;;/h9,11-13H,1-8,10,17H2;2*1H
InChIKeyMLOHIZIFNJOWLC-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.30
Rot. Bonds2

About 3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride

3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride (PubChem CID 154902532) has the molecular formula C16H26Cl2N4 and a molecular weight of 345.32 g/mol. Its IUPAC name is 3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
PubChem CID154902532
Molecular FormulaC16H26Cl2N4
Molecular Weight345.32 g/mol
Exact Mass344.15
IUPAC Name3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
SMILESCl.Cl.NC1CC(c2cc(N3CCC4(CCCC4)C3)ncn2)C1
InChIInChI=1S/C16H24N4.2ClH/c17-13-7-12(8-13)14-9-15(19-11-18-14)20-6-5-16(10-20)3-1-2-4-16;;/h9,11-13H,1-8,10,17H2;2*1H
InChIKeyMLOHIZIFNJOWLC-UHFFFAOYSA-N
XLogP3.30
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902759
4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine
CID 91795077
[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride
CID 154902521
3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902353
3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902365
4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride
CID 154902625
3-[6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91770772
3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91798327
6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine
CID 78929951
1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride
CID 154902683
2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 154903586
3-[6-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91792058

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The IUPAC name of 3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride (CID 154902532) is 3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride.
What is the SMILES notation for 3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The canonical SMILES for 3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride is Cl.Cl.NC1CC(c2cc(N3CCC4(CCCC4)C3)ncn2)C1.
What is the InChIKey of 3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The InChIKey is MLOHIZIFNJOWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4.2ClH/c17-13-7-12(8-13)14-9-15(19-11-18-14)20-6-5-16(10-20)3-1-2-4-16;;/h9,11-13H,1-8,10,17H2;2*1H.
What are the key properties of 3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride has a molecular weight of 345.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride is sourced from PubChem (CID 154902532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).