(3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine

C9H12Cl2N4O — CID 162406029

IUPAC(3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine
SMILESC[C@@H]1COC[C@H](C)N1c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H12Cl2N4O/c1-5-3-16-4-6(2)15(5)9-13-7(10)12-8(11)14-9/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyRNDYAKCYVWASSL-OLQVQODUSA-N
MW263.13 g/mol
LogP1.79
Rot. Bonds1

About (3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine

(3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine (PubChem CID 162406029) has the molecular formula C9H12Cl2N4O and a molecular weight of 263.13 g/mol. Its IUPAC name is (3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine.

Molecular Properties

Compound Name(3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine
PubChem CID162406029
Molecular FormulaC9H12Cl2N4O
Molecular Weight263.13 g/mol
Exact Mass262.04
IUPAC Name(3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine
SMILESC[C@@H]1COC[C@H](C)N1c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H12Cl2N4O/c1-5-3-16-4-6(2)15(5)9-13-7(10)12-8(11)14-9/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyRNDYAKCYVWASSL-OLQVQODUSA-N
XLogP1.79
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine?
The IUPAC name of (3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine (CID 162406029) is (3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine.
What is the SMILES notation for (3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine?
The canonical SMILES for (3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine is C[C@@H]1COC[C@H](C)N1c1nc(Cl)nc(Cl)n1.
What is the InChIKey of (3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine?
The InChIKey is RNDYAKCYVWASSL-OLQVQODUSA-N. The full InChI is InChI=1S/C9H12Cl2N4O/c1-5-3-16-4-6(2)15(5)9-13-7(10)12-8(11)14-9/h5-6H,3-4H2,1-2H3/t5-,6+.
What are the key properties of (3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine?
(3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine has a molecular weight of 263.13 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-4-(4,6-dichloro-1,3,5-triazin-2-yl)-3,5-dimethylmorpholine is sourced from PubChem (CID 162406029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).