6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine

C14H21N5O2 — CID 134098766

IUPAC6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(OCCON2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C14H21N5O2/c1-10-4-6-11(7-5-10)20-8-9-21-19-13(16)17-12(15)18-14(19,2)3/h4-7H,8-9H2,1-3H3,(H4,15,16,17,18)
InChIKeyFDVLLBGXVZTCBX-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.99
Rot. Bonds5

About 6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine

6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine (PubChem CID 134098766) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine
PubChem CID134098766
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(OCCON2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C14H21N5O2/c1-10-4-6-11(7-5-10)20-8-9-21-19-13(16)17-12(15)18-14(19,2)3/h4-7H,8-9H2,1-3H3,(H4,15,16,17,18)
InChIKeyFDVLLBGXVZTCBX-UHFFFAOYSA-N
XLogP0.99
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-chlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 10871077
6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine
CID 44522017
1-[3-(3-ethylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44522509
1-heptoxy-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 3008677
1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 134126209
1-[3-(2-chloro-4-fluorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 162664347
1-[3-(2-methoxy-6-propylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 44522559
1-methyl-4-propoxybenzene;yttrium
CID 59325724
6-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 56668842
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-(2-ethenoxyethoxy)-4-methylbenzene
CID 21338012
1-[4-[3-[(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)oxy]propoxy]phenyl]ethanone
CID 56669826

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine (CID 134098766) is 6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine is Cc1ccc(OCCON2C(N)=NC(N)=NC2(C)C)cc1.
What is the InChIKey of 6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine?
The InChIKey is FDVLLBGXVZTCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-10-4-6-11(7-5-10)20-8-9-21-19-13(16)17-12(15)18-14(19,2)3/h4-7H,8-9H2,1-3H3,(H4,15,16,17,18).
What are the key properties of 6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine?
6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 134098766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).