4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine

C12H20ClN5O — CID 55124481

IUPAC4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(N2CCOC(C)C2)n1
InChIInChI=1S/C12H20ClN5O/c1-4-17(5-2)11-14-10(13)15-12(16-11)18-6-7-19-9(3)8-18/h9H,4-8H2,1-3H3
InChIKeyMGARXUWRAVRXHM-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.60
Rot. Bonds4

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

4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine (PubChem CID 55124481) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine
PubChem CID55124481
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(N2CCOC(C)C2)n1
InChIInChI=1S/C12H20ClN5O/c1-4-17(5-2)11-14-10(13)15-12(16-11)18-6-7-19-9(3)8-18/h9H,4-8H2,1-3H3
InChIKeyMGARXUWRAVRXHM-UHFFFAOYSA-N
XLogP1.60
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N,N-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 62967640
4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 64596823
4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 80824389
4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine
CID 62863161
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine
CID 62870214
4-chloro-6-(3,3-dimethylmorpholin-4-yl)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62863215
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-methylmorpholine
CID 67190024
4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764638
4-[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]morpholine-2-carbonitrile
CID 80837471
[4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol
CID 81197727
4-(2-methylmorpholin-4-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80763914
[4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholin-2-yl]methanol
CID 81205273

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine (CID 55124481) is 4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(N2CCOC(C)C2)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is MGARXUWRAVRXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-4-17(5-2)11-14-10(13)15-12(16-11)18-6-7-19-9(3)8-18/h9H,4-8H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 285.78 g/mol, XLogP of 1.60, 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-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).