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

C17H19N5O2 — CID 4159063

IUPAC1-(2-methoxyphenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine
SMILESCOc1ccc(C2N=C(N)N=C(N)N2c2ccccc2OC)cc1
InChIInChI=1S/C17H19N5O2/c1-23-12-9-7-11(8-10-12)15-20-16(18)21-17(19)22(15)13-5-3-4-6-14(13)24-2/h3-10,15H,1-2H3,(H4,18,19,20,21)
InChIKeyPUONBOPCCZYLPL-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.85
Rot. Bonds4

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

1-(2-methoxyphenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine (PubChem CID 4159063) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine
PubChem CID4159063
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-(2-methoxyphenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine
SMILESCOc1ccc(C2N=C(N)N=C(N)N2c2ccccc2OC)cc1
InChIInChI=1S/C17H19N5O2/c1-23-12-9-7-11(8-10-12)15-20-16(18)21-17(19)22(15)13-5-3-4-6-14(13)24-2/h3-10,15H,1-2H3,(H4,18,19,20,21)
InChIKeyPUONBOPCCZYLPL-UHFFFAOYSA-N
XLogP1.85
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 1-(2-methoxyphenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine (CID 4159063) is 1-(2-methoxyphenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine is COc1ccc(C2N=C(N)N=C(N)N2c2ccccc2OC)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is PUONBOPCCZYLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-23-12-9-7-11(8-10-12)15-20-16(18)21-17(19)22(15)13-5-3-4-6-14(13)24-2/h3-10,15H,1-2H3,(H4,18,19,20,21).
What are the key properties of 1-(2-methoxyphenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine?
1-(2-methoxyphenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 325.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(4-methoxyphenyl)-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 4159063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).