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

C19H20FN5O3 — CID 23536344

IUPAC4-N-(2-fluoro-4-methylphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2ncnc(Nc3ccc(C)cc3F)n2)cc(OC)c1OC
InChIInChI=1S/C19H20FN5O3/c1-11-5-6-14(13(20)7-11)24-19-22-10-21-18(25-19)23-12-8-15(26-2)17(28-4)16(9-12)27-3/h5-10H,1-4H3,(H2,21,22,23,24,25)
InChIKeyNIECIZBTONSTPK-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.83
Rot. Bonds7

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

4-N-(2-fluoro-4-methylphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 23536344) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is 4-N-(2-fluoro-4-methylphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-fluoro-4-methylphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID23536344
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name4-N-(2-fluoro-4-methylphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2ncnc(Nc3ccc(C)cc3F)n2)cc(OC)c1OC
InChIInChI=1S/C19H20FN5O3/c1-11-5-6-14(13(20)7-11)24-19-22-10-21-18(25-19)23-12-8-15(26-2)17(28-4)16(9-12)27-3/h5-10H,1-4H3,(H2,21,22,23,24,25)
InChIKeyNIECIZBTONSTPK-UHFFFAOYSA-N
XLogP3.83
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluoro-4-methylphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(2-fluoro-4-methylphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 23536344) is 4-N-(2-fluoro-4-methylphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(2-fluoro-4-methylphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(2-fluoro-4-methylphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1cc(Nc2ncnc(Nc3ccc(C)cc3F)n2)cc(OC)c1OC.
What is the InChIKey of 4-N-(2-fluoro-4-methylphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NIECIZBTONSTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-11-5-6-14(13(20)7-11)24-19-22-10-21-18(25-19)23-12-8-15(26-2)17(28-4)16(9-12)27-3/h5-10H,1-4H3,(H2,21,22,23,24,25).
What are the key properties of 4-N-(2-fluoro-4-methylphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
4-N-(2-fluoro-4-methylphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 385.40 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluoro-4-methylphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).