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

C14H22ClN5O2 — CID 137453790

IUPAC4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine
SMILESC[C@@H]1COCCN1c1nc(Cl)nc(N2CCOCC2(C)C)n1
InChIInChI=1S/C14H22ClN5O2/c1-10-8-21-6-4-19(10)12-16-11(15)17-13(18-12)20-5-7-22-9-14(20,2)3/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyABEBJKOUBLTSOF-SNVBAGLBSA-N
MW327.82 g/mol
LogP1.37
Rot. Bonds2

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

4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine (PubChem CID 137453790) has the molecular formula C14H22ClN5O2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine
PubChem CID137453790
Molecular FormulaC14H22ClN5O2
Molecular Weight327.82 g/mol
Exact Mass327.15
IUPAC Name4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine
SMILESC[C@@H]1COCCN1c1nc(Cl)nc(N2CCOCC2(C)C)n1
InChIInChI=1S/C14H22ClN5O2/c1-10-8-21-6-4-19(10)12-16-11(15)17-13(18-12)20-5-7-22-9-14(20,2)3/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyABEBJKOUBLTSOF-SNVBAGLBSA-N
XLogP1.37
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-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-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol
CID 137453994
(3R)-4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-methylmorpholine
CID 138660464
(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
(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
4-chloro-6-(3,3-dimethylmorpholin-4-yl)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62863215
4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine
CID 137453759
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide
CID 166756211
(3S,5S)-4-[4-chloro-6-[(3S,5S)-3,5-dimethylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine
CID 139505234

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine?
The IUPAC name of 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine (CID 137453790) is 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine.
What is the SMILES notation for 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine?
The canonical SMILES for 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine is C[C@@H]1COCCN1c1nc(Cl)nc(N2CCOCC2(C)C)n1.
What is the InChIKey of 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine?
The InChIKey is ABEBJKOUBLTSOF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22ClN5O2/c1-10-8-21-6-4-19(10)12-16-11(15)17-13(18-12)20-5-7-22-9-14(20,2)3/h10H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine?
4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine has a molecular weight of 327.82 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine is sourced from PubChem (CID 137453790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).