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

C10H10FN5O — CID 42601345

IUPAC6-(5-fluoro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(F)cc1-c1nc(N)nc(N)n1
InChIInChI=1S/C10H10FN5O/c1-17-7-3-2-5(11)4-6(7)8-14-9(12)16-10(13)15-8/h2-4H,1H3,(H4,12,13,14,15,16)
InChIKeyZQXVAIQYIGYEGB-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.85
Rot. Bonds2

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

6-(5-fluoro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 42601345) has the molecular formula C10H10FN5O and a molecular weight of 235.22 g/mol. Its IUPAC name is 6-(5-fluoro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(5-fluoro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID42601345
Molecular FormulaC10H10FN5O
Molecular Weight235.22 g/mol
Exact Mass235.09
IUPAC Name6-(5-fluoro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(F)cc1-c1nc(N)nc(N)n1
InChIInChI=1S/C10H10FN5O/c1-17-7-3-2-5(11)4-6(7)8-14-9(12)16-10(13)15-8/h2-4H,1H3,(H4,12,13,14,15,16)
InChIKeyZQXVAIQYIGYEGB-UHFFFAOYSA-N
XLogP0.85
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 42601345) is 6-(5-fluoro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(5-fluoro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(5-fluoro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(F)cc1-c1nc(N)nc(N)n1.
What is the InChIKey of 6-(5-fluoro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZQXVAIQYIGYEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O/c1-17-7-3-2-5(11)4-6(7)8-14-9(12)16-10(13)15-8/h2-4H,1H3,(H4,12,13,14,15,16).
What are the key properties of 6-(5-fluoro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-(5-fluoro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 235.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 42601345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).