N,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine

C12H17N5 — CID 136590894

IUPACN,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC/N=C1/NC(N(C)c2ccccc2)=NC(C)N1
InChIInChI=1S/C12H17N5/c1-9-14-11(13-2)16-12(15-9)17(3)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,13,14,15,16)
InChIKeyUXQWWUSCRGLCCP-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.00
Rot. Bonds1

About N,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine

N,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 136590894) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID136590894
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC/N=C1/NC(N(C)c2ccccc2)=NC(C)N1
InChIInChI=1S/C12H17N5/c1-9-14-11(13-2)16-12(15-9)17(3)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,13,14,15,16)
InChIKeyUXQWWUSCRGLCCP-UHFFFAOYSA-N
XLogP1.00
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of N,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 136590894) is N,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for N,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine is C/N=C1/NC(N(C)c2ccccc2)=NC(C)N1.
What is the InChIKey of N,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is UXQWWUSCRGLCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-14-11(13-2)16-12(15-9)17(3)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,13,14,15,16).
What are the key properties of N,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
N,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-methylimino-N-phenyl-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 136590894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).