2-N-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine

C18H14FN5O — CID 934512

IUPAC2-N-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1c(-c2nc(N)nc(Nc3ccc(F)cc3)n2)oc2ccccc12
InChIInChI=1S/C18H14FN5O/c1-10-13-4-2-3-5-14(13)25-15(10)16-22-17(20)24-18(23-16)21-12-8-6-11(19)7-9-12/h2-9H,1H3,(H3,20,21,22,23,24)
InChIKeyUXYJKRZHUCDGEH-UHFFFAOYSA-N
MW335.34 g/mol
LogP4.06
Rot. Bonds3

About 2-N-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine

2-N-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 934512) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID934512
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name2-N-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1c(-c2nc(N)nc(Nc3ccc(F)cc3)n2)oc2ccccc12
InChIInChI=1S/C18H14FN5O/c1-10-13-4-2-3-5-14(13)25-15(10)16-22-17(20)24-18(23-16)21-12-8-6-11(19)7-9-12/h2-9H,1H3,(H3,20,21,22,23,24)
InChIKeyUXYJKRZHUCDGEH-UHFFFAOYSA-N
XLogP4.06
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine (CID 934512) is 2-N-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine is Cc1c(-c2nc(N)nc(Nc3ccc(F)cc3)n2)oc2ccccc12.
What is the InChIKey of 2-N-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UXYJKRZHUCDGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-10-13-4-2-3-5-14(13)25-15(10)16-22-17(20)24-18(23-16)21-12-8-6-11(19)7-9-12/h2-9H,1H3,(H3,20,21,22,23,24).
What are the key properties of 2-N-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 335.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 934512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).