4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine

C13H22ClN5O — CID 102746672

IUPAC4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CC(C)(C)OC(C)(C)C2)n1
InChIInChI=1S/C13H22ClN5O/c1-6-15-10-16-9(14)17-11(18-10)19-7-12(2,3)20-13(4,5)8-19/h6-8H2,1-5H3,(H,15,16,17,18)
InChIKeyTWSVLPFWFIWKTE-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.35
Rot. Bonds3

About 4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine

4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine (PubChem CID 102746672) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine
PubChem CID102746672
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CC(C)(C)OC(C)(C)C2)n1
InChIInChI=1S/C13H22ClN5O/c1-6-15-10-16-9(14)17-11(18-10)19-7-12(2,3)20-13(4,5)8-19/h6-8H2,1-5H3,(H,15,16,17,18)
InChIKeyTWSVLPFWFIWKTE-UHFFFAOYSA-N
XLogP2.35
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-N-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 102746663
1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81108688
4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 103504632
4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80796310
1-[4-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80767278
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
4-chloro-N-ethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80846867
4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80837274
4-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-1-methyl-1,4-diazepan-2-one
CID 102887796
4-chloro-6-(3,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80835002

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine (CID 102746672) is 4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(N2CC(C)(C)OC(C)(C)C2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is TWSVLPFWFIWKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-6-15-10-16-9(14)17-11(18-10)19-7-12(2,3)20-13(4,5)8-19/h6-8H2,1-5H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 299.81 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 102746672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).