4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine

C15H16FN7 — CID 151987261

IUPAC4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine
SMILESCc1c(CN)ccc(-c2ncnc(Nc3ccn(C)n3)n2)c1F
InChIInChI=1S/C15H16FN7/c1-9-10(7-17)3-4-11(13(9)16)14-18-8-19-15(21-14)20-12-5-6-23(2)22-12/h3-6,8H,7,17H2,1-2H3,(H,18,19,20,21,22)
InChIKeyUDXOWZJEHYTADR-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.92
Rot. Bonds4

About 4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine

4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine (PubChem CID 151987261) has the molecular formula C15H16FN7 and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine
PubChem CID151987261
Molecular FormulaC15H16FN7
Molecular Weight313.34 g/mol
Exact Mass313.15
IUPAC Name4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine
SMILESCc1c(CN)ccc(-c2ncnc(Nc3ccn(C)n3)n2)c1F
InChIInChI=1S/C15H16FN7/c1-9-10(7-17)3-4-11(13(9)16)14-18-8-19-15(21-14)20-12-5-6-23(2)22-12/h3-6,8H,7,17H2,1-2H3,(H,18,19,20,21,22)
InChIKeyUDXOWZJEHYTADR-UHFFFAOYSA-N
XLogP1.92
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine (CID 151987261) is 4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine is Cc1c(CN)ccc(-c2ncnc(Nc3ccn(C)n3)n2)c1F.
What is the InChIKey of 4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is UDXOWZJEHYTADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN7/c1-9-10(7-17)3-4-11(13(9)16)14-18-8-19-15(21-14)20-12-5-6-23(2)22-12/h3-6,8H,7,17H2,1-2H3,(H,18,19,20,21,22).
What are the key properties of 4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine?
4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 313.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 151987261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).