2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine

C15H16FN5O — CID 15022793

IUPAC2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(F)c1nc(N)nc(NC(C)c2cc3ccccc3o2)n1
InChIInChI=1S/C15H16FN5O/c1-8(16)13-19-14(17)21-15(20-13)18-9(2)12-7-10-5-3-4-6-11(10)22-12/h3-9H,1-2H3,(H3,17,18,19,20,21)
InChIKeyNXTIWRZFUCGFAZ-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.40
Rot. Bonds4

About 2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine

2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 15022793) has the molecular formula C15H16FN5O and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID15022793
Molecular FormulaC15H16FN5O
Molecular Weight301.33 g/mol
Exact Mass301.13
IUPAC Name2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(F)c1nc(N)nc(NC(C)c2cc3ccccc3o2)n1
InChIInChI=1S/C15H16FN5O/c1-8(16)13-19-14(17)21-15(20-13)18-9(2)12-7-10-5-3-4-6-11(10)22-12/h3-9H,1-2H3,(H3,17,18,19,20,21)
InChIKeyNXTIWRZFUCGFAZ-UHFFFAOYSA-N
XLogP3.40
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (CID 15022793) is 2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine is CC(F)c1nc(N)nc(NC(C)c2cc3ccccc3o2)n1.
What is the InChIKey of 2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NXTIWRZFUCGFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-8(16)13-19-14(17)21-15(20-13)18-9(2)12-7-10-5-3-4-6-11(10)22-12/h3-9H,1-2H3,(H3,17,18,19,20,21).
What are the key properties of 2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 301.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15022793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).