6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine

C11H12FN5 — CID 142393995

IUPAC6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(N)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C11H12FN5/c1-2-9-15-10(13)17-11(16-9)14-8-5-3-7(12)4-6-8/h3-6H,2H2,1H3,(H3,13,14,15,16,17)
InChIKeyCSKXOJQSRYQSBN-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.90
Rot. Bonds3

About 6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine

6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 142393995) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is 6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID142393995
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC Name6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(N)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C11H12FN5/c1-2-9-15-10(13)17-11(16-9)14-8-5-3-7(12)4-6-8/h3-6H,2H2,1H3,(H3,13,14,15,16,17)
InChIKeyCSKXOJQSRYQSBN-UHFFFAOYSA-N
XLogP1.90
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-ylmethyl)-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 753517
6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 78820252
2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760934
2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol
CID 111913626
2-N-(4-fluorophenyl)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 55443603
6-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 26635001
6-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 9473852
2-N-(4-fluorophenyl)-6-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 35502155
1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol
CID 110880190
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-methylcyclopropane-1-carboxylate
CID 47013914
2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 26300352
2-N-(4-fluorophenyl)-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 38870014

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine (CID 142393995) is 6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine is CCc1nc(N)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CSKXOJQSRYQSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5/c1-2-9-15-10(13)17-11(16-9)14-8-5-3-7(12)4-6-8/h3-6H,2H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine?
6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 233.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 142393995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).