4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine

C12H19ClN4O2 — CID 62862646

IUPAC4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine
SMILESCC(C)Oc1nc(Cl)nc(N2CC(C)OCC2C)n1
InChIInChI=1S/C12H19ClN4O2/c1-7(2)19-12-15-10(13)14-11(16-12)17-5-9(4)18-6-8(17)3/h7-9H,5-6H2,1-4H3
InChIKeyXQIWZMCCJPWUTM-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.93
Rot. Bonds3

About 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine

4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine (PubChem CID 62862646) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine
PubChem CID62862646
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine
SMILESCC(C)Oc1nc(Cl)nc(N2CC(C)OCC2C)n1
InChIInChI=1S/C12H19ClN4O2/c1-7(2)19-12-15-10(13)14-11(16-12)17-5-9(4)18-6-8(17)3/h7-9H,5-6H2,1-4H3
InChIKeyXQIWZMCCJPWUTM-UHFFFAOYSA-N
XLogP1.93
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine?
The IUPAC name of 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine (CID 62862646) is 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine.
What is the SMILES notation for 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine?
The canonical SMILES for 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine is CC(C)Oc1nc(Cl)nc(N2CC(C)OCC2C)n1.
What is the InChIKey of 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine?
The InChIKey is XQIWZMCCJPWUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-7(2)19-12-15-10(13)14-11(16-12)17-5-9(4)18-6-8(17)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine?
4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine has a molecular weight of 286.76 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine is sourced from PubChem (CID 62862646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).