6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine

C18H22FN5O2 — CID 124816596

IUPAC6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1cc(N2CC3(C2)OCC[C@H]3COc2ncccc2F)ncn1
InChIInChI=1S/C18H22FN5O2/c1-23(2)15-8-16(22-12-21-15)24-10-18(11-24)13(5-7-26-18)9-25-17-14(19)4-3-6-20-17/h3-4,6,8,12-13H,5,7,9-11H2,1-2H3/t13-/m0/s1
InChIKeyLZJKLZRWOUQQCS-ZDUSSCGKSA-N
MW359.41 g/mol
LogP1.75
Rot. Bonds5

About 6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine

6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 124816596) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine
PubChem CID124816596
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1cc(N2CC3(C2)OCC[C@H]3COc2ncccc2F)ncn1
InChIInChI=1S/C18H22FN5O2/c1-23(2)15-8-16(22-12-21-15)24-10-18(11-24)13(5-7-26-18)9-25-17-14(19)4-3-6-20-17/h3-4,6,8,12-13H,5,7,9-11H2,1-2H3/t13-/m0/s1
InChIKeyLZJKLZRWOUQQCS-ZDUSSCGKSA-N
XLogP1.75
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine with MolForge

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Related Compounds

8-[(3-fluoro-2-pyridinyl)oxymethyl]-N,N-dimethyl-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
CID 131639733
8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane
CID 131660991
N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine
CID 131657828
(8R)-2-(6-methoxypyrimidin-4-yl)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124795040
8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
CID 131692014
N,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine
CID 124819679
(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124782593
6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine
CID 131662125
[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone
CID 131640418
1-[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]butan-1-one;2,2,2-trifluoroacetic acid
CID 155865636
1-[8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-3-methylbutan-1-one;2,2,2-trifluoroacetic acid
CID 155861006
8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(pyridin-4-ylmethyl)-5-oxa-2-azaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155866493

Frequently Asked Questions

What is the IUPAC name of 6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine (CID 124816596) is 6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine is CN(C)c1cc(N2CC3(C2)OCC[C@H]3COc2ncccc2F)ncn1.
What is the InChIKey of 6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is LZJKLZRWOUQQCS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-23(2)15-8-16(22-12-21-15)24-10-18(11-24)13(5-7-26-18)9-25-17-14(19)4-3-6-20-17/h3-4,6,8,12-13H,5,7,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine?
6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 359.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 124816596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).