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

C13H20ClN5O2 — CID 139520999

IUPAC4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
SMILESCC1COCCN1c1nc(Cl)nc(N2CCOC[C@@H]2C)n1
InChIInChI=1S/C13H20ClN5O2/c1-9-7-20-5-3-18(9)12-15-11(14)16-13(17-12)19-4-6-21-8-10(19)2/h9-10H,3-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyMGHQRHPOXKHDAT-RGURZIINSA-N
MW313.79 g/mol
LogP0.98
Rot. Bonds2

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

4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine (PubChem CID 139520999) has the molecular formula C13H20ClN5O2 and a molecular weight of 313.79 g/mol. Its IUPAC name is 4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
PubChem CID139520999
Molecular FormulaC13H20ClN5O2
Molecular Weight313.79 g/mol
Exact Mass313.13
IUPAC Name4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
SMILESCC1COCCN1c1nc(Cl)nc(N2CCOC[C@@H]2C)n1
InChIInChI=1S/C13H20ClN5O2/c1-9-7-20-5-3-18(9)12-15-11(14)16-13(17-12)19-4-6-21-8-10(19)2/h9-10H,3-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyMGHQRHPOXKHDAT-RGURZIINSA-N
XLogP0.98
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(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
(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-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine
CID 137453759
1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide
CID 166756211
3-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-4-methyliminopent-2-en-2-amine
CID 165053605
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703371

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine?
The IUPAC name of 4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine (CID 139520999) is 4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine?
The canonical SMILES for 4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine is CC1COCCN1c1nc(Cl)nc(N2CCOC[C@@H]2C)n1.
What is the InChIKey of 4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine?
The InChIKey is MGHQRHPOXKHDAT-RGURZIINSA-N. The full InChI is InChI=1S/C13H20ClN5O2/c1-9-7-20-5-3-18(9)12-15-11(14)16-13(17-12)19-4-6-21-8-10(19)2/h9-10H,3-8H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of 4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine?
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine has a molecular weight of 313.79 g/mol, XLogP of 0.98, 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-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 139520999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).