2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine

C13H16FN5O2 — CID 80839761

IUPAC2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(Nc2cc(OC)ccc2F)n1
InChIInChI=1S/C13H16FN5O2/c1-3-6-21-13-18-11(15)17-12(19-13)16-10-7-8(20-2)4-5-9(10)14/h4-5,7H,3,6H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyFGDZEFLUUXPEEZ-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.13
Rot. Bonds6

About 2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80839761) has the molecular formula C13H16FN5O2 and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80839761
Molecular FormulaC13H16FN5O2
Molecular Weight293.30 g/mol
Exact Mass293.13
IUPAC Name2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(Nc2cc(OC)ccc2F)n1
InChIInChI=1S/C13H16FN5O2/c1-3-6-21-13-18-11(15)17-12(19-13)16-10-7-8(20-2)4-5-9(10)14/h4-5,7H,3,6H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyFGDZEFLUUXPEEZ-UHFFFAOYSA-N
XLogP2.13
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80839761) is 2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(Nc2cc(OC)ccc2F)n1.
What is the InChIKey of 2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is FGDZEFLUUXPEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O2/c1-3-6-21-13-18-11(15)17-12(19-13)16-10-7-8(20-2)4-5-9(10)14/h4-5,7H,3,6H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 293.30 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80839761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).