4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)morpholine

C8H11ClN4O2 — CID 686256

IUPAC4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)morpholine
SMILESCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C8H11ClN4O2/c1-14-8-11-6(9)10-7(12-8)13-2-4-15-5-3-13/h2-5H2,1H3
InChIKeyQZVKLRQIMUKUBT-UHFFFAOYSA-N
MW230.65 g/mol
LogP0.37
Rot. Bonds2

About 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)morpholine

4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)morpholine (PubChem CID 686256) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.65 g/mol. Its IUPAC name is 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)morpholine
PubChem CID686256
Molecular FormulaC8H11ClN4O2
Molecular Weight230.65 g/mol
Exact Mass230.06
IUPAC Name4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)morpholine
SMILESCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C8H11ClN4O2/c1-14-8-11-6(9)10-7(12-8)13-2-4-15-5-3-13/h2-5H2,1H3
InChIKeyQZVKLRQIMUKUBT-UHFFFAOYSA-N
XLogP0.37
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 50.37
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-methoxy-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)morpholine (CID 686256) is 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)morpholine is COc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)morpholine?
The InChIKey is QZVKLRQIMUKUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c1-14-8-11-6(9)10-7(12-8)13-2-4-15-5-3-13/h2-5H2,1H3.
What are the key properties of 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)morpholine?
4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)morpholine has a molecular weight of 230.65 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 686256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).