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

C23H30N6O2 — CID 67550474

IUPAC(2S,6R)-4-[2-(benzimidazol-1-yl)-6-[(2S,3R)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2cc(N3CCO[C@@H](C)[C@H]3C)nc(-n3cnc4ccccc43)n2)C[C@H](C)O1
InChIInChI=1S/C23H30N6O2/c1-15-12-27(13-16(2)31-15)21-11-22(28-9-10-30-18(4)17(28)3)26-23(25-21)29-14-24-19-7-5-6-8-20(19)29/h5-8,11,14-18H,9-10,12-13H2,1-4H3/t15-,16+,17-,18+/m1/s1
InChIKeyLNHOOFXDRMATCV-XDNAFOTISA-N
MW422.53 g/mol
LogP3.04
Rot. Bonds3

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

(2S,6R)-4-[2-(benzimidazol-1-yl)-6-[(2S,3R)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 67550474) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is (2S,6R)-4-[2-(benzimidazol-1-yl)-6-[(2S,3R)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[2-(benzimidazol-1-yl)-6-[(2S,3R)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
PubChem CID67550474
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name(2S,6R)-4-[2-(benzimidazol-1-yl)-6-[(2S,3R)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2cc(N3CCO[C@@H](C)[C@H]3C)nc(-n3cnc4ccccc43)n2)C[C@H](C)O1
InChIInChI=1S/C23H30N6O2/c1-15-12-27(13-16(2)31-15)21-11-22(28-9-10-30-18(4)17(28)3)26-23(25-21)29-14-24-19-7-5-6-8-20(19)29/h5-8,11,14-18H,9-10,12-13H2,1-4H3/t15-,16+,17-,18+/m1/s1
InChIKeyLNHOOFXDRMATCV-XDNAFOTISA-N
XLogP3.04
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[2-(benzimidazol-1-yl)-6-[(2S,3R)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[2-(benzimidazol-1-yl)-6-[(2S,3R)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine (CID 67550474) is (2S,6R)-4-[2-(benzimidazol-1-yl)-6-[(2S,3R)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[2-(benzimidazol-1-yl)-6-[(2S,3R)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[2-(benzimidazol-1-yl)-6-[(2S,3R)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine is C[C@@H]1CN(c2cc(N3CCO[C@@H](C)[C@H]3C)nc(-n3cnc4ccccc43)n2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-[2-(benzimidazol-1-yl)-6-[(2S,3R)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is LNHOOFXDRMATCV-XDNAFOTISA-N. The full InChI is InChI=1S/C23H30N6O2/c1-15-12-27(13-16(2)31-15)21-11-22(28-9-10-30-18(4)17(28)3)26-23(25-21)29-14-24-19-7-5-6-8-20(19)29/h5-8,11,14-18H,9-10,12-13H2,1-4H3/t15-,16+,17-,18+/m1/s1.
What are the key properties of (2S,6R)-4-[2-(benzimidazol-1-yl)-6-[(2S,3R)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine?
(2S,6R)-4-[2-(benzimidazol-1-yl)-6-[(2S,3R)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 422.53 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[2-(benzimidazol-1-yl)-6-[(2S,3R)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 67550474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).