4-chloro-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C11H18ClN5O — CID 750196

IUPAC4-chloro-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C11H18ClN5O/c1-3-16(4-2)10-13-9(12)14-11(15-10)17-5-7-18-8-6-17/h3-8H2,1-2H3
InChIKeyMPKICYXTKHBJTK-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.21
Rot. Bonds4

About 4-chloro-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-chloro-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 750196) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID750196
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name4-chloro-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C11H18ClN5O/c1-3-16(4-2)10-13-9(12)14-11(15-10)17-5-7-18-8-6-17/h3-8H2,1-2H3
InChIKeyMPKICYXTKHBJTK-UHFFFAOYSA-N
XLogP1.21
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 750196) is 4-chloro-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is MPKICYXTKHBJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-3-16(4-2)10-13-9(12)14-11(15-10)17-5-7-18-8-6-17/h3-8H2,1-2H3.
What are the key properties of 4-chloro-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 271.75 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 750196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).