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

C11H17ClN4O2 — CID 62869616

IUPAC4-(4-butoxy-6-chloro-1,3,5-triazin-2-yl)morpholine
SMILESCCCCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C11H17ClN4O2/c1-2-3-6-18-11-14-9(12)13-10(15-11)16-4-7-17-8-5-16/h2-8H2,1H3
InChIKeyMVJOFWXCAHFPAN-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.54
Rot. Bonds5

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

4-(4-butoxy-6-chloro-1,3,5-triazin-2-yl)morpholine (PubChem CID 62869616) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-(4-butoxy-6-chloro-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-butoxy-6-chloro-1,3,5-triazin-2-yl)morpholine
PubChem CID62869616
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name4-(4-butoxy-6-chloro-1,3,5-triazin-2-yl)morpholine
SMILESCCCCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C11H17ClN4O2/c1-2-3-6-18-11-14-9(12)13-10(15-11)16-4-7-17-8-5-16/h2-8H2,1H3
InChIKeyMVJOFWXCAHFPAN-UHFFFAOYSA-N
XLogP1.54
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-butoxy-6-chloro-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of 4-(4-butoxy-6-chloro-1,3,5-triazin-2-yl)morpholine (CID 62869616) is 4-(4-butoxy-6-chloro-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-butoxy-6-chloro-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for 4-(4-butoxy-6-chloro-1,3,5-triazin-2-yl)morpholine is CCCCOc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-butoxy-6-chloro-1,3,5-triazin-2-yl)morpholine?
The InChIKey is MVJOFWXCAHFPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-2-3-6-18-11-14-9(12)13-10(15-11)16-4-7-17-8-5-16/h2-8H2,1H3.
What are the key properties of 4-(4-butoxy-6-chloro-1,3,5-triazin-2-yl)morpholine?
4-(4-butoxy-6-chloro-1,3,5-triazin-2-yl)morpholine has a molecular weight of 272.74 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butoxy-6-chloro-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 62869616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).