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

C13H20ClN5O2 — CID 44522078

IUPAC1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCOc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1OC.Cl
InChIInChI=1S/C13H19N5O2.ClH/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);1H
InChIKeyAKZVNFYABNPQKA-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.31
Rot. Bonds3

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

1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 44522078) has the molecular formula C13H20ClN5O2 and a molecular weight of 313.79 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID44522078
Molecular FormulaC13H20ClN5O2
Molecular Weight313.79 g/mol
Exact Mass313.13
IUPAC Name1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCOc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1OC.Cl
InChIInChI=1S/C13H19N5O2.ClH/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);1H
InChIKeyAKZVNFYABNPQKA-UHFFFAOYSA-N
XLogP1.31
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.31
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;hydrochloride?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride (CID 44522078) is 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride is COc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1OC.Cl.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is AKZVNFYABNPQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2.ClH/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);1H.
What are the key properties of 1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride?
1-(3,4-dimethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 313.79 g/mol, XLogP of 1.31, 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;hydrochloride is sourced from PubChem (CID 44522078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).