4-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

C17H18N6O2 — CID 59548210

IUPAC4-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncccc2-c2nc(C)nc(N)n2)cc1OC
InChIInChI=1S/C17H18N6O2/c1-10-20-16(23-17(18)21-10)12-5-4-8-19-15(12)22-11-6-7-13(24-2)14(9-11)25-3/h4-9H,1-3H3,(H,19,22)(H2,18,20,21,23)
InChIKeyZRWFBYWFGFNDNS-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.59
Rot. Bonds5

About 4-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

4-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548210) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548210
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name4-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncccc2-c2nc(C)nc(N)n2)cc1OC
InChIInChI=1S/C17H18N6O2/c1-10-20-16(23-17(18)21-10)12-5-4-8-19-15(12)22-11-6-7-13(24-2)14(9-11)25-3/h4-9H,1-3H3,(H,19,22)(H2,18,20,21,23)
InChIKeyZRWFBYWFGFNDNS-UHFFFAOYSA-N
XLogP2.59
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548210) is 4-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(Nc2ncccc2-c2nc(C)nc(N)n2)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is ZRWFBYWFGFNDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-10-20-16(23-17(18)21-10)12-5-4-8-19-15(12)22-11-6-7-13(24-2)14(9-11)25-3/h4-9H,1-3H3,(H,19,22)(H2,18,20,21,23).
What are the key properties of 4-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 338.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyanilino)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).