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

C15H22ClN5O2 — CID 138660670

IUPAC(5S)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-ethenyl-5-methylmorpholine
SMILESC=CC1COC[C@H](C)N1c1nc(Cl)nc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C15H22ClN5O2/c1-4-12-9-23-8-11(3)21(12)15-18-13(16)17-14(19-15)20-5-6-22-7-10(20)2/h4,10-12H,1,5-9H2,2-3H3/t10-,11+,12?/m1/s1
InChIKeyYMMKPNABXGTNLH-UBNQGINQSA-N
MW339.83 g/mol
LogP1.53
Rot. Bonds3

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

(5S)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-ethenyl-5-methylmorpholine (PubChem CID 138660670) has the molecular formula C15H22ClN5O2 and a molecular weight of 339.83 g/mol. Its IUPAC name is (5S)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-ethenyl-5-methylmorpholine.

Molecular Properties

Compound Name(5S)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-ethenyl-5-methylmorpholine
PubChem CID138660670
Molecular FormulaC15H22ClN5O2
Molecular Weight339.83 g/mol
Exact Mass339.15
IUPAC Name(5S)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-ethenyl-5-methylmorpholine
SMILESC=CC1COC[C@H](C)N1c1nc(Cl)nc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C15H22ClN5O2/c1-4-12-9-23-8-11(3)21(12)15-18-13(16)17-14(19-15)20-5-6-22-7-10(20)2/h4,10-12H,1,5-9H2,2-3H3/t10-,11+,12?/m1/s1
InChIKeyYMMKPNABXGTNLH-UBNQGINQSA-N
XLogP1.53
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-ethenyl-5-methylmorpholine?
The IUPAC name of (5S)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-ethenyl-5-methylmorpholine (CID 138660670) is (5S)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-ethenyl-5-methylmorpholine.
What is the SMILES notation for (5S)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-ethenyl-5-methylmorpholine?
The canonical SMILES for (5S)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-ethenyl-5-methylmorpholine is C=CC1COC[C@H](C)N1c1nc(Cl)nc(N2CCOC[C@H]2C)n1.
What is the InChIKey of (5S)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-ethenyl-5-methylmorpholine?
The InChIKey is YMMKPNABXGTNLH-UBNQGINQSA-N. The full InChI is InChI=1S/C15H22ClN5O2/c1-4-12-9-23-8-11(3)21(12)15-18-13(16)17-14(19-15)20-5-6-22-7-10(20)2/h4,10-12H,1,5-9H2,2-3H3/t10-,11+,12?/m1/s1.
What are the key properties of (5S)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-ethenyl-5-methylmorpholine?
(5S)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-ethenyl-5-methylmorpholine has a molecular weight of 339.83 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-ethenyl-5-methylmorpholine is sourced from PubChem (CID 138660670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).