6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

C13H23ClN6O — CID 62870409

IUPAC6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C13H23ClN6O/c1-3-20(4-2)13-17-11(14)16-12(18-13)15-5-6-19-7-9-21-10-8-19/h3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyIVHXKAACGNPOSZ-UHFFFAOYSA-N
MW314.82 g/mol
LogP1.12
Rot. Bonds7

About 6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62870409) has the molecular formula C13H23ClN6O and a molecular weight of 314.82 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID62870409
Molecular FormulaC13H23ClN6O
Molecular Weight314.82 g/mol
Exact Mass314.16
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C13H23ClN6O/c1-3-20(4-2)13-17-11(14)16-12(18-13)15-5-6-19-7-9-21-10-8-19/h3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyIVHXKAACGNPOSZ-UHFFFAOYSA-N
XLogP1.12
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-tert-butyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 3762337
4-Methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 709353
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
CID 2734059
2-(Morpholin-4-YL)-4-(piperazin-1-YL)-1,3,5-triazine
CID 66685500
2-Chloro-4-methoxy-6-(morpholin-4-yl)-1,3,5-triazine
CID 686256
4-methoxy-N-methyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 976569
4,6-dimorpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 2057546
[4-Chloro-6-(octylamino)(1,3,5-triazin-2-yl)](2-morpholin-4-ylethyl)amine
CID 3117169
N,N,N',N'-tetramethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 1508119
s-Triazine, 2,4-bis(methylamino)-6-morpholino-
CID 204412
4-Chloro-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 13950063
6-Ethoxy-N-isopropyl-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 767097

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 62870409) is 6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NCCN2CCOCC2)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IVHXKAACGNPOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN6O/c1-3-20(4-2)13-17-11(14)16-12(18-13)15-5-6-19-7-9-21-10-8-19/h3-10H2,1-2H3,(H,15,16,17,18).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 314.82 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62870409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).