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

C19H20ClN5O4 — CID 24836812

IUPAC4-N-(3-chloro-4-methoxyphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1Cl
InChIInChI=1S/C19H20ClN5O4/c1-26-14-6-5-11(7-13(14)20)23-18-21-10-22-19(25-18)24-12-8-15(27-2)17(29-4)16(9-12)28-3/h5-10H,1-4H3,(H2,21,22,23,24,25)
InChIKeyZVWFECUPYCFYBL-UHFFFAOYSA-N
MW417.85 g/mol
LogP4.05
Rot. Bonds8

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

4-N-(3-chloro-4-methoxyphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 24836812) has the molecular formula C19H20ClN5O4 and a molecular weight of 417.85 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID24836812
Molecular FormulaC19H20ClN5O4
Molecular Weight417.85 g/mol
Exact Mass417.12
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1Cl
InChIInChI=1S/C19H20ClN5O4/c1-26-14-6-5-11(7-13(14)20)23-18-21-10-22-19(25-18)24-12-8-15(27-2)17(29-4)16(9-12)28-3/h5-10H,1-4H3,(H2,21,22,23,24,25)
InChIKeyZVWFECUPYCFYBL-UHFFFAOYSA-N
XLogP4.05
TPSA99.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 24836812) is 4-N-(3-chloro-4-methoxyphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZVWFECUPYCFYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O4/c1-26-14-6-5-11(7-13(14)20)23-18-21-10-22-19(25-18)24-12-8-15(27-2)17(29-4)16(9-12)28-3/h5-10H,1-4H3,(H2,21,22,23,24,25).
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
4-N-(3-chloro-4-methoxyphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 417.85 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 24836812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).