4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine

C16H18FN7 — CID 170133127

IUPAC4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine
SMILESCNCc1ccc(-c2ncnc(Nc3ccn(C)n3)n2)c(F)c1C
InChIInChI=1S/C16H18FN7/c1-10-11(8-18-2)4-5-12(14(10)17)15-19-9-20-16(22-15)21-13-6-7-24(3)23-13/h4-7,9,18H,8H2,1-3H3,(H,19,20,21,22,23)
InChIKeyKHLHZFUGAASKHA-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.18
Rot. Bonds5

About 4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine

4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine (PubChem CID 170133127) has the molecular formula C16H18FN7 and a molecular weight of 327.37 g/mol. Its IUPAC name is 4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine
PubChem CID170133127
Molecular FormulaC16H18FN7
Molecular Weight327.37 g/mol
Exact Mass327.16
IUPAC Name4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine
SMILESCNCc1ccc(-c2ncnc(Nc3ccn(C)n3)n2)c(F)c1C
InChIInChI=1S/C16H18FN7/c1-10-11(8-18-2)4-5-12(14(10)17)15-19-9-20-16(22-15)21-13-6-7-24(3)23-13/h4-7,9,18H,8H2,1-3H3,(H,19,20,21,22,23)
InChIKeyKHLHZFUGAASKHA-UHFFFAOYSA-N
XLogP2.18
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine (CID 170133127) is 4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine is CNCc1ccc(-c2ncnc(Nc3ccn(C)n3)n2)c(F)c1C.
What is the InChIKey of 4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is KHLHZFUGAASKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN7/c1-10-11(8-18-2)4-5-12(14(10)17)15-19-9-20-16(22-15)21-13-6-7-24(3)23-13/h4-7,9,18H,8H2,1-3H3,(H,19,20,21,22,23).
What are the key properties of 4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine?
4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 327.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 170133127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).