2-N-[4-(dimethylamino)phenyl]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine

C13H20N6 — CID 892735

IUPAC2-N-[4-(dimethylamino)phenyl]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
SMILESCN(C)c1ccc(NC2=NC(C)(C)N=C(N)N2)cc1
InChIInChI=1S/C13H20N6/c1-13(2)17-11(14)16-12(18-13)15-9-5-7-10(8-6-9)19(3)4/h5-8H,1-4H3,(H4,14,15,16,17,18)
InChIKeyZZTJASZPIZZVII-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.17
Rot. Bonds2

About 2-N-[4-(dimethylamino)phenyl]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine

2-N-[4-(dimethylamino)phenyl]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine (PubChem CID 892735) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 2-N-[4-(dimethylamino)phenyl]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[4-(dimethylamino)phenyl]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
PubChem CID892735
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name2-N-[4-(dimethylamino)phenyl]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
SMILESCN(C)c1ccc(NC2=NC(C)(C)N=C(N)N2)cc1
InChIInChI=1S/C13H20N6/c1-13(2)17-11(14)16-12(18-13)15-9-5-7-10(8-6-9)19(3)4/h5-8H,1-4H3,(H4,14,15,16,17,18)
InChIKeyZZTJASZPIZZVII-UHFFFAOYSA-N
XLogP1.17
TPSA78.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Diphenylguanidine
CID 7594
1,2,3-Triphenylguanidine
CID 7539
N,N'-Diphenylformamidine
CID 94888
N,N'-Diphenylguanidine monohydrochloride
CID 32260
Diphenylguanidine hydrochloride
CID 520104
1-(p-(Dimethylamino)phenyl)thiourea
CID 2758514
6,6-Dimethyl-1-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
CID 102185
4,6-Diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine
CID 19931
6,6-dimethyl-N2-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 221163
N2-phenyl-1,3,5-triazaspiro(5.5)undeca-1,3-diene-2,4-diamine
CID 732268
ZD7288
CID 123984
N1-(4,5-Dihydro-1h-Imidazol-2-Yl)-N4-(4-((4,5-Dihydro-1h-Imidazol-2-Yl)amino)phenyl)benzene-1,4-Diamine
CID 10019859

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(dimethylamino)phenyl]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The IUPAC name of 2-N-[4-(dimethylamino)phenyl]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine (CID 892735) is 2-N-[4-(dimethylamino)phenyl]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 2-N-[4-(dimethylamino)phenyl]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 2-N-[4-(dimethylamino)phenyl]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine is CN(C)c1ccc(NC2=NC(C)(C)N=C(N)N2)cc1.
What is the InChIKey of 2-N-[4-(dimethylamino)phenyl]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The InChIKey is ZZTJASZPIZZVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-13(2)17-11(14)16-12(18-13)15-9-5-7-10(8-6-9)19(3)4/h5-8H,1-4H3,(H4,14,15,16,17,18).
What are the key properties of 2-N-[4-(dimethylamino)phenyl]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
2-N-[4-(dimethylamino)phenyl]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine has a molecular weight of 260.35 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(dimethylamino)phenyl]-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 892735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).