2-N-(2,5-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

C18H17F2N5O3 — CID 23536328

IUPAC2-N-(2,5-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2ncnc(Nc3cc(F)ccc3F)n2)cc(OC)c1OC
InChIInChI=1S/C18H17F2N5O3/c1-26-14-7-11(8-15(27-2)16(14)28-3)23-17-21-9-22-18(25-17)24-13-6-10(19)4-5-12(13)20/h4-9H,1-3H3,(H2,21,22,23,24,25)
InChIKeyGWVZRFMWDLJKOT-UHFFFAOYSA-N
MW389.36 g/mol
LogP3.66
Rot. Bonds7

About 2-N-(2,5-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

2-N-(2,5-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 23536328) has the molecular formula C18H17F2N5O3 and a molecular weight of 389.36 g/mol. Its IUPAC name is 2-N-(2,5-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,5-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID23536328
Molecular FormulaC18H17F2N5O3
Molecular Weight389.36 g/mol
Exact Mass389.13
IUPAC Name2-N-(2,5-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2ncnc(Nc3cc(F)ccc3F)n2)cc(OC)c1OC
InChIInChI=1S/C18H17F2N5O3/c1-26-14-7-11(8-15(27-2)16(14)28-3)23-17-21-9-22-18(25-17)24-13-6-10(19)4-5-12(13)20/h4-9H,1-3H3,(H2,21,22,23,24,25)
InChIKeyGWVZRFMWDLJKOT-UHFFFAOYSA-N
XLogP3.66
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,5-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 23536328) is 2-N-(2,5-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,5-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,5-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1cc(Nc2ncnc(Nc3cc(F)ccc3F)n2)cc(OC)c1OC.
What is the InChIKey of 2-N-(2,5-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GWVZRFMWDLJKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O3/c1-26-14-7-11(8-15(27-2)16(14)28-3)23-17-21-9-22-18(25-17)24-13-6-10(19)4-5-12(13)20/h4-9H,1-3H3,(H2,21,22,23,24,25).
What are the key properties of 2-N-(2,5-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
2-N-(2,5-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 389.36 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).