3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride

C18H30Cl2N4 — CID 154902759

IUPAC3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
SMILESCl.Cl.NC1CC(c2cc(N3CCCC4(CCCCC4)C3)ncn2)C1
InChIInChI=1S/C18H28N4.2ClH/c19-15-9-14(10-15)16-11-17(21-13-20-16)22-8-4-7-18(12-22)5-2-1-3-6-18;;/h11,13-15H,1-10,12,19H2;2*1H
InChIKeyOKTGDUXOJIKCHM-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.08
Rot. Bonds2

About 3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride

3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride (PubChem CID 154902759) has the molecular formula C18H30Cl2N4 and a molecular weight of 373.37 g/mol. Its IUPAC name is 3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
PubChem CID154902759
Molecular FormulaC18H30Cl2N4
Molecular Weight373.37 g/mol
Exact Mass372.18
IUPAC Name3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
SMILESCl.Cl.NC1CC(c2cc(N3CCCC4(CCCCC4)C3)ncn2)C1
InChIInChI=1S/C18H28N4.2ClH/c19-15-9-14(10-15)16-11-17(21-13-20-16)22-8-4-7-18(12-22)5-2-1-3-6-18;;/h11,13-15H,1-10,12,19H2;2*1H
InChIKeyOKTGDUXOJIKCHM-UHFFFAOYSA-N
XLogP4.08
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902532
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
3-[6-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91792058
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
[(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97131261

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The IUPAC name of 3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride (CID 154902759) is 3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride.
What is the SMILES notation for 3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The canonical SMILES for 3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride is Cl.Cl.NC1CC(c2cc(N3CCCC4(CCCCC4)C3)ncn2)C1.
What is the InChIKey of 3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The InChIKey is OKTGDUXOJIKCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4.2ClH/c19-15-9-14(10-15)16-11-17(21-13-20-16)22-8-4-7-18(12-22)5-2-1-3-6-18;;/h11,13-15H,1-10,12,19H2;2*1H.
What are the key properties of 3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride has a molecular weight of 373.37 g/mol, XLogP of 4.08, 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[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride is sourced from PubChem (CID 154902759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).