4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine

C11H16N6 — CID 152769477

IUPAC4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine
SMILESC[C@@H](c1ccccc1)C1(N)N=C(N)NC(N)=N1
InChIInChI=1S/C11H16N6/c1-7(8-5-3-2-4-6-8)11(14)16-9(12)15-10(13)17-11/h2-7H,14H2,1H3,(H5,12,13,15,16,17)/t7-/m0/s1
InChIKeyDYKWGRWNOIOFPZ-ZETCQYMHSA-N
MW232.29 g/mol
LogP-0.36
Rot. Bonds2

About 4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine

4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine (PubChem CID 152769477) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine
PubChem CID152769477
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine
SMILESC[C@@H](c1ccccc1)C1(N)N=C(N)NC(N)=N1
InChIInChI=1S/C11H16N6/c1-7(8-5-3-2-4-6-8)11(14)16-9(12)15-10(13)17-11/h2-7H,14H2,1H3,(H5,12,13,15,16,17)/t7-/m0/s1
InChIKeyDYKWGRWNOIOFPZ-ZETCQYMHSA-N
XLogP-0.36
TPSA114.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1R)-1-phenylethyl]-1H-pyrimidine-2,4-diamine
CID 152769458
2-(1-phenylethyl)-1H-pyrazine-2,3-diamine
CID 154314670
1-(1-phenylethyl)cyclopropan-1-amine;hydrochloride
CID 138987875
4-[2-(4-chlorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine
CID 150301660
4-methyl-6-phenyl-1H-pyrimidine-2,4-diamine
CID 154178295
4-[2-(3-fluorophenyl)ethyl]-2-[(1S)-1-phenylethyl]imino-1,3-dihydro-1,3,5-triazine-4,6-diamine
CID 150227954
[(1S)-1-phenylethyl]azanium
CID 7855572
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 142851428
propan-2-ylcyclodecapentaene
CID 123508933
1-phenylethylbenzene
CID 11918
cumene
CID 161227923

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine (CID 152769477) is 4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine is C[C@@H](c1ccccc1)C1(N)N=C(N)NC(N)=N1.
What is the InChIKey of 4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DYKWGRWNOIOFPZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N6/c1-7(8-5-3-2-4-6-8)11(14)16-9(12)15-10(13)17-11/h2-7H,14H2,1H3,(H5,12,13,15,16,17)/t7-/m0/s1.
What are the key properties of 4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine?
4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine has a molecular weight of 232.29 g/mol, XLogP of -0.36, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-phenylethyl]-1H-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 152769477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).