(3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine

C15H24ClN5O2 — CID 139505234

IUPAC(3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine
SMILESC[C@H]1COC[C@H](C)N1c1nc(Cl)nc(N2[C@@H](C)COC[C@@H]2C)n1
InChIInChI=1S/C15H24ClN5O2/c1-9-5-22-6-10(2)20(9)14-17-13(16)18-15(19-14)21-11(3)7-23-8-12(21)4/h9-12H,5-8H2,1-4H3/t9-,10-,11-,12-/m0/s1
InChIKeyRMZUFERQSOOUPJ-BJDJZHNGSA-N
MW341.84 g/mol
LogP1.75
Rot. Bonds2

About (3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine

(3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine (PubChem CID 139505234) has the molecular formula C15H24ClN5O2 and a molecular weight of 341.84 g/mol. Its IUPAC name is (3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine.

Molecular Properties

Compound Name(3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine
PubChem CID139505234
Molecular FormulaC15H24ClN5O2
Molecular Weight341.84 g/mol
Exact Mass341.16
IUPAC Name(3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine
SMILESC[C@H]1COC[C@H](C)N1c1nc(Cl)nc(N2[C@@H](C)COC[C@@H]2C)n1
InChIInChI=1S/C15H24ClN5O2/c1-9-5-22-6-10(2)20(9)14-17-13(16)18-15(19-14)21-11(3)7-23-8-12(21)4/h9-12H,5-8H2,1-4H3/t9-,10-,11-,12-/m0/s1
InChIKeyRMZUFERQSOOUPJ-BJDJZHNGSA-N
XLogP1.75
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine with MolForge

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Launch Full Analysis

Related Compounds

4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
(3R)-4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-methylmorpholine
CID 138660464
4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine
CID 137453790
(3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine
CID 139505136
3-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane
CID 137453766
(3S,5R)-4-[4-[4-(difluoromethyl)-3-pyridinyl]-6-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine
CID 121334413
8-(4,6-dichloro-1,3,5-triazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane;methane;3-oxa-8-azabicyclo[3.2.1]octane;2,4,6-trichloro-1,3,5-triazine
CID 164966691
(3S,5S)-4-[2-chloro-6-(cyclopropylsulfinylmethyl)pyrimidin-4-yl]-3,5-dimethylmorpholine
CID 163920736
2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine
CID 11893825
4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine
CID 137453759
4-chloro-3,5-dimethylmorpholine
CID 14340350
4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 62869868

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine?
The IUPAC name of (3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine (CID 139505234) is (3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine.
What is the SMILES notation for (3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine?
The canonical SMILES for (3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine is C[C@H]1COC[C@H](C)N1c1nc(Cl)nc(N2[C@@H](C)COC[C@@H]2C)n1.
What is the InChIKey of (3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine?
The InChIKey is RMZUFERQSOOUPJ-BJDJZHNGSA-N. The full InChI is InChI=1S/C15H24ClN5O2/c1-9-5-22-6-10(2)20(9)14-17-13(16)18-15(19-14)21-11(3)7-23-8-12(21)4/h9-12H,5-8H2,1-4H3/t9-,10-,11-,12-/m0/s1.
What are the key properties of (3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine?
(3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine has a molecular weight of 341.84 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine is sourced from PubChem (CID 139505234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).