3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol

C14H21N3O2 — CID 91770488

IUPAC3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESC[C@@H]1CN(c2cc(C3CC(O)C3)ncn2)C[C@H](C)O1
InChIInChI=1S/C14H21N3O2/c1-9-6-17(7-10(2)19-9)14-5-13(15-8-16-14)11-3-12(18)4-11/h5,8-12,18H,3-4,6-7H2,1-2H3/t9-,10+,11?,12?
InChIKeyFKFBFGZEVKAONV-ZYANWLCNSA-N
MW263.34 g/mol
LogP1.33
Rot. Bonds2

About 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91770488) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91770488
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESC[C@@H]1CN(c2cc(C3CC(O)C3)ncn2)C[C@H](C)O1
InChIInChI=1S/C14H21N3O2/c1-9-6-17(7-10(2)19-9)14-5-13(15-8-16-14)11-3-12(18)4-11/h5,8-12,18H,3-4,6-7H2,1-2H3/t9-,10+,11?,12?
InChIKeyFKFBFGZEVKAONV-ZYANWLCNSA-N
XLogP1.33
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol with MolForge

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Related Compounds

1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
(2R,6R)-2,6-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine
CID 42270575
3-[6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
CID 91775817
2,6-dimethyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 172900300
3-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91788147
3-[6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
CID 91772623
methyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboxylate
CID 129497950
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
3-[1-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperidin-4-yl]phenol
CID 91776992
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80764701
3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91764195
[(2S,6S)-6-methyl-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 100653088

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol (CID 91770488) is 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol is C[C@@H]1CN(c2cc(C3CC(O)C3)ncn2)C[C@H](C)O1.
What is the InChIKey of 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is FKFBFGZEVKAONV-ZYANWLCNSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-6-17(7-10(2)19-9)14-5-13(15-8-16-14)11-3-12(18)4-11/h5,8-12,18H,3-4,6-7H2,1-2H3/t9-,10+,11?,12?.
What are the key properties of 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 263.34 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91770488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).