6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine

C11H21ClN6 — CID 80769439

IUPAC6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCCN(CC)CC)n1
InChIInChI=1S/C11H21ClN6/c1-4-13-10-15-9(12)16-11(17-10)14-7-8-18(5-2)6-3/h4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyWXGGDFGICYOCIM-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.71
Rot. Bonds8

About 6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80769439) has the molecular formula C11H21ClN6 and a molecular weight of 272.78 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID80769439
Molecular FormulaC11H21ClN6
Molecular Weight272.78 g/mol
Exact Mass272.15
IUPAC Name6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCCN(CC)CC)n1
InChIInChI=1S/C11H21ClN6/c1-4-13-10-15-9(12)16-11(17-10)14-7-8-18(5-2)6-3/h4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyWXGGDFGICYOCIM-UHFFFAOYSA-N
XLogP1.71
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-N-[2-(diethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80770689
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870216
N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870217
6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80829285
N-[2-[[4-[2-(diethylamino)ethylamino]-6-[2-(ethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 176734873
2-N-[2-(diethylamino)ethyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80931722
6-chloro-4-N-ethyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine
CID 107818968
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 60726247

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 80769439) is 6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NCCN(CC)CC)n1.
What is the InChIKey of 6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WXGGDFGICYOCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN6/c1-4-13-10-15-9(12)16-11(17-10)14-7-8-18(5-2)6-3/h4-8H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 272.78 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80769439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).