6-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine

C14H19FN6O — CID 8912155

IUPAC6-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(Cc1ccc(OC)c(F)c1)Cc1nc(N)nc(N)n1
InChIInChI=1S/C14H19FN6O/c1-3-21(8-12-18-13(16)20-14(17)19-12)7-9-4-5-11(22-2)10(15)6-9/h4-6H,3,7-8H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyNMLOBAVBJHISEQ-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.21
Rot. Bonds6

About 6-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine

6-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 8912155) has the molecular formula C14H19FN6O and a molecular weight of 306.35 g/mol. Its IUPAC name is 6-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID8912155
Molecular FormulaC14H19FN6O
Molecular Weight306.35 g/mol
Exact Mass306.16
IUPAC Name6-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(Cc1ccc(OC)c(F)c1)Cc1nc(N)nc(N)n1
InChIInChI=1S/C14H19FN6O/c1-3-21(8-12-18-13(16)20-14(17)19-12)7-9-4-5-11(22-2)10(15)6-9/h4-6H,3,7-8H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyNMLOBAVBJHISEQ-UHFFFAOYSA-N
XLogP1.21
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine (CID 8912155) is 6-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine is CCN(Cc1ccc(OC)c(F)c1)Cc1nc(N)nc(N)n1.
What is the InChIKey of 6-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is NMLOBAVBJHISEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6O/c1-3-21(8-12-18-13(16)20-14(17)19-12)7-9-4-5-11(22-2)10(15)6-9/h4-6H,3,7-8H2,1-2H3,(H4,16,17,18,19,20).
What are the key properties of 6-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
6-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 306.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 8912155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).