3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride

C18H30Cl2N4O2 — CID 154903312

IUPAC3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
SMILESCOCc1nc(C2CC(N)C2)cc(N2CCOC3(CCCC3)C2)n1.Cl.Cl
InChIInChI=1S/C18H28N4O2.2ClH/c1-23-11-16-20-15(13-8-14(19)9-13)10-17(21-16)22-6-7-24-18(12-22)4-2-3-5-18;;/h10,13-14H,2-9,11-12,19H2,1H3;2*1H
InChIKeyJAMLLVXTGHQOPE-UHFFFAOYSA-N
MW405.37 g/mol
LogP2.82
Rot. Bonds4

About 3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride

3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride (PubChem CID 154903312) has the molecular formula C18H30Cl2N4O2 and a molecular weight of 405.37 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
PubChem CID154903312
Molecular FormulaC18H30Cl2N4O2
Molecular Weight405.37 g/mol
Exact Mass404.17
IUPAC Name3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
SMILESCOCc1nc(C2CC(N)C2)cc(N2CCOC3(CCCC3)C2)n1.Cl.Cl
InChIInChI=1S/C18H28N4O2.2ClH/c1-23-11-16-20-15(13-8-14(19)9-13)10-17(21-16)22-6-7-24-18(12-22)4-2-3-5-18;;/h10,13-14H,2-9,11-12,19H2,1H3;2*1H
InChIKeyJAMLLVXTGHQOPE-UHFFFAOYSA-N
XLogP2.82
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902523
3-[2-(methoxymethyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902827
4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride
CID 154902331
3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
CID 91782421
N-[1-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide;dihydrochloride
CID 154902260
3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
CID 91766574
3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91768169
4-(3-aminocyclobutyl)-6-(2,2-diethylmorpholin-4-yl)-N,N-dimethylpyrimidin-2-amine
CID 91771197
3-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one;dihydrochloride
CID 154902261
4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine
CID 91795077
(1S,5R)-3-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 126436849
2-(methoxymethyl)-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 113401273

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The IUPAC name of 3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride (CID 154903312) is 3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride.
What is the SMILES notation for 3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The canonical SMILES for 3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride is COCc1nc(C2CC(N)C2)cc(N2CCOC3(CCCC3)C2)n1.Cl.Cl.
What is the InChIKey of 3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
The InChIKey is JAMLLVXTGHQOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.2ClH/c1-23-11-16-20-15(13-8-14(19)9-13)10-17(21-16)22-6-7-24-18(12-22)4-2-3-5-18;;/h10,13-14H,2-9,11-12,19H2,1H3;2*1H.
What are the key properties of 3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride?
3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride has a molecular weight of 405.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride is sourced from PubChem (CID 154903312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).