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

C14H22N4O2 — CID 95137462

IUPAC(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESC[C@@H]1CN(c2nccc(N3CC[C@@H](O)C3)n2)C[C@H](C)O1
InChIInChI=1S/C14H22N4O2/c1-10-7-18(8-11(2)20-10)14-15-5-3-13(16-14)17-6-4-12(19)9-17/h3,5,10-12,19H,4,6-9H2,1-2H3/t10-,11+,12-/m1/s1
InChIKeyJEVJFMUXWTZGHE-GRYCIOLGSA-N
MW278.36 g/mol
LogP0.66
Rot. Bonds2

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

(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 95137462) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID95137462
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESC[C@@H]1CN(c2nccc(N3CC[C@@H](O)C3)n2)C[C@H](C)O1
InChIInChI=1S/C14H22N4O2/c1-10-7-18(8-11(2)20-10)14-15-5-3-13(16-14)17-6-4-12(19)9-17/h3,5,10-12,19H,4,6-9H2,1-2H3/t10-,11+,12-/m1/s1
InChIKeyJEVJFMUXWTZGHE-GRYCIOLGSA-N
XLogP0.66
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol (CID 95137462) is (3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol is C[C@@H]1CN(c2nccc(N3CC[C@@H](O)C3)n2)C[C@H](C)O1.
What is the InChIKey of (3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is JEVJFMUXWTZGHE-GRYCIOLGSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-7-18(8-11(2)20-10)14-15-5-3-13(16-14)17-6-4-12(19)9-17/h3,5,10-12,19H,4,6-9H2,1-2H3/t10-,11+,12-/m1/s1.
What are the key properties of (3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 278.36 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 95137462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).