1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C13H19N5O2 — CID 3563970

IUPAC1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1OC
InChIInChI=1S/C13H19N5O2/c1-13(2)17-11(14)16-12(15)18(13)8-5-6-9(19-3)10(7-8)20-4/h5-7H,1-4H3,(H4,14,15,16,17)
InChIKeyVQRSVBFYTHVYJT-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.89
Rot. Bonds3

About 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 3563970) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID3563970
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1OC
InChIInChI=1S/C13H19N5O2/c1-13(2)17-11(14)16-12(15)18(13)8-5-6-9(19-3)10(7-8)20-4/h5-7H,1-4H3,(H4,14,15,16,17)
InChIKeyVQRSVBFYTHVYJT-UHFFFAOYSA-N
XLogP0.89
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 3563970) is 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is COc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VQRSVBFYTHVYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-13(2)17-11(14)16-12(15)18(13)8-5-6-9(19-3)10(7-8)20-4/h5-7H,1-4H3,(H4,14,15,16,17).
What are the key properties of 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 277.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3563970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).