(3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine

C15H24ClN5O2 — CID 139505136

IUPAC(3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine
SMILESCCC[C@@H]1COCCN1c1nc(Cl)nc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C15H24ClN5O2/c1-3-4-12-10-23-8-6-21(12)15-18-13(16)17-14(19-15)20-5-7-22-9-11(20)2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyMDTOPLAGDDULTR-VXGBXAGGSA-N
MW341.84 g/mol
LogP1.76
Rot. Bonds4

About (3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine

(3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine (PubChem CID 139505136) has the molecular formula C15H24ClN5O2 and a molecular weight of 341.84 g/mol. Its IUPAC name is (3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine
PubChem CID139505136
Molecular FormulaC15H24ClN5O2
Molecular Weight341.84 g/mol
Exact Mass341.16
IUPAC Name(3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine
SMILESCCC[C@@H]1COCCN1c1nc(Cl)nc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C15H24ClN5O2/c1-3-4-12-10-23-8-6-21(12)15-18-13(16)17-14(19-15)20-5-7-22-9-11(20)2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyMDTOPLAGDDULTR-VXGBXAGGSA-N
XLogP1.76
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine with MolForge

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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
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
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964
(3S)-3-ethyl-4-[4-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 175844619
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
CID 62864402
4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
CID 62864577
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
4-(6-chloro-2-pyridinyl)-3-ethylmorpholine
CID 63585973
[(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol
CID 137453994

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine?
The IUPAC name of (3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine (CID 139505136) is (3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine.
What is the SMILES notation for (3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine?
The canonical SMILES for (3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine is CCC[C@@H]1COCCN1c1nc(Cl)nc(N2CCOC[C@H]2C)n1.
What is the InChIKey of (3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine?
The InChIKey is MDTOPLAGDDULTR-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H24ClN5O2/c1-3-4-12-10-23-8-6-21(12)15-18-13(16)17-14(19-15)20-5-7-22-9-11(20)2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine?
(3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine has a molecular weight of 341.84 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine is sourced from PubChem (CID 139505136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).