(2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine

C7H14N4 — CID 58369957

IUPAC(2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC=C1NC(N(C)C)=N[C@@H](C)N1
InChIInChI=1S/C7H14N4/c1-5-8-6(2)10-7(9-5)11(3)4/h6,8H,1H2,2-4H3,(H,9,10)/t6-/m0/s1
InChIKeyZNZJXTTZNIBHTB-LURJTMIESA-N
MW154.22 g/mol
LogP-0.09
Rot. Bonds

About (2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine

(2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 58369957) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is (2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name(2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID58369957
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name(2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC=C1NC(N(C)C)=N[C@@H](C)N1
InChIInChI=1S/C7H14N4/c1-5-8-6(2)10-7(9-5)11(3)4/h6,8H,1H2,2-4H3,(H,9,10)/t6-/m0/s1
InChIKeyZNZJXTTZNIBHTB-LURJTMIESA-N
XLogP-0.09
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of (2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 58369957) is (2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for (2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for (2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine is C=C1NC(N(C)C)=N[C@@H](C)N1.
What is the InChIKey of (2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is ZNZJXTTZNIBHTB-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N4/c1-5-8-6(2)10-7(9-5)11(3)4/h6,8H,1H2,2-4H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine?
(2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 154.22 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 58369957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).