4,6-dimethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine

C12H14N4O3 — CID 1158978

IUPAC4,6-dimethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(OC)nc(OC)n2)cc1
InChIInChI=1S/C12H14N4O3/c1-17-9-6-4-8(5-7-9)13-10-14-11(18-2)16-12(15-10)19-3/h4-7H,1-3H3,(H,13,14,15,16)
InChIKeyBVGMVTOIICGAHT-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.64
Rot. Bonds5

About 4,6-dimethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine

4,6-dimethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 1158978) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID1158978
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4,6-dimethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(OC)nc(OC)n2)cc1
InChIInChI=1S/C12H14N4O3/c1-17-9-6-4-8(5-7-9)13-10-14-11(18-2)16-12(15-10)19-3/h4-7H,1-3H3,(H,13,14,15,16)
InChIKeyBVGMVTOIICGAHT-UHFFFAOYSA-N
XLogP1.64
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine (CID 1158978) is 4,6-dimethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(OC)nc(OC)n2)cc1.
What is the InChIKey of 4,6-dimethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is BVGMVTOIICGAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-17-9-6-4-8(5-7-9)13-10-14-11(18-2)16-12(15-10)19-3/h4-7H,1-3H3,(H,13,14,15,16).
What are the key properties of 4,6-dimethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 262.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 1158978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).