4,4-diethyl-2-N,2-N-dimethyl-1H-1,3,5-triazine-2,6-diamine

C9H19N5 — CID 21027230

IUPAC4,4-diethyl-2-N,2-N-dimethyl-1H-1,3,5-triazine-2,6-diamine
SMILESCCC1(CC)N=C(N)NC(N(C)C)=N1
InChIInChI=1S/C9H19N5/c1-5-9(6-2)12-7(10)11-8(13-9)14(3)4/h5-6H2,1-4H3,(H3,10,11,12,13)
InChIKeyUPCJSSJOUIQHNC-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.34
Rot. Bonds2

About 4,4-diethyl-2-N,2-N-dimethyl-1H-1,3,5-triazine-2,6-diamine

4,4-diethyl-2-N,2-N-dimethyl-1H-1,3,5-triazine-2,6-diamine (PubChem CID 21027230) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 4,4-diethyl-2-N,2-N-dimethyl-1H-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name4,4-diethyl-2-N,2-N-dimethyl-1H-1,3,5-triazine-2,6-diamine
PubChem CID21027230
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name4,4-diethyl-2-N,2-N-dimethyl-1H-1,3,5-triazine-2,6-diamine
SMILESCCC1(CC)N=C(N)NC(N(C)C)=N1
InChIInChI=1S/C9H19N5/c1-5-9(6-2)12-7(10)11-8(13-9)14(3)4/h5-6H2,1-4H3,(H3,10,11,12,13)
InChIKeyUPCJSSJOUIQHNC-UHFFFAOYSA-N
XLogP0.34
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-2-N,2-N-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The IUPAC name of 4,4-diethyl-2-N,2-N-dimethyl-1H-1,3,5-triazine-2,6-diamine (CID 21027230) is 4,4-diethyl-2-N,2-N-dimethyl-1H-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 4,4-diethyl-2-N,2-N-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 4,4-diethyl-2-N,2-N-dimethyl-1H-1,3,5-triazine-2,6-diamine is CCC1(CC)N=C(N)NC(N(C)C)=N1.
What is the InChIKey of 4,4-diethyl-2-N,2-N-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The InChIKey is UPCJSSJOUIQHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-5-9(6-2)12-7(10)11-8(13-9)14(3)4/h5-6H2,1-4H3,(H3,10,11,12,13).
What are the key properties of 4,4-diethyl-2-N,2-N-dimethyl-1H-1,3,5-triazine-2,6-diamine?
4,4-diethyl-2-N,2-N-dimethyl-1H-1,3,5-triazine-2,6-diamine has a molecular weight of 197.29 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-2-N,2-N-dimethyl-1H-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 21027230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).