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

C18H21N5O3 — CID 4233540

IUPAC2-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine
SMILESCOc1ccc(C2N=C(N)N=C(N)N2c2ccccc2OC)cc1OC
InChIInChI=1S/C18H21N5O3/c1-24-13-7-5-4-6-12(13)23-16(21-17(19)22-18(23)20)11-8-9-14(25-2)15(10-11)26-3/h4-10,16H,1-3H3,(H4,19,20,21,22)
InChIKeyKFYMGFXGGWZEQJ-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.86
Rot. Bonds5

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

2-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine (PubChem CID 4233540) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine
PubChem CID4233540
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine
SMILESCOc1ccc(C2N=C(N)N=C(N)N2c2ccccc2OC)cc1OC
InChIInChI=1S/C18H21N5O3/c1-24-13-7-5-4-6-12(13)23-16(21-17(19)22-18(23)20)11-8-9-14(25-2)15(10-11)26-3/h4-10,16H,1-3H3,(H4,19,20,21,22)
InChIKeyKFYMGFXGGWZEQJ-UHFFFAOYSA-N
XLogP1.86
TPSA107.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine (CID 4233540) is 2-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine is COc1ccc(C2N=C(N)N=C(N)N2c2ccccc2OC)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is KFYMGFXGGWZEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-24-13-7-5-4-6-12(13)23-16(21-17(19)22-18(23)20)11-8-9-14(25-2)15(10-11)26-3/h4-10,16H,1-3H3,(H4,19,20,21,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine?
2-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 355.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 4233540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).