2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

C19H21N5O3 — CID 162396917

IUPAC2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(-c2nc(N)nc(Nc3ccc(C)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H21N5O3/c1-11-5-7-13(8-6-11)21-19-23-17(22-18(20)24-19)12-9-14(25-2)16(27-4)15(10-12)26-3/h5-10H,1-4H3,(H3,20,21,22,23,24)
InChIKeyBFJNGAFOVYCQIF-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.20
Rot. Bonds6

About 2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 162396917) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID162396917
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(-c2nc(N)nc(Nc3ccc(C)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H21N5O3/c1-11-5-7-13(8-6-11)21-19-23-17(22-18(20)24-19)12-9-14(25-2)16(27-4)15(10-12)26-3/h5-10H,1-4H3,(H3,20,21,22,23,24)
InChIKeyBFJNGAFOVYCQIF-UHFFFAOYSA-N
XLogP3.20
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 162396917) is 2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1cc(-c2nc(N)nc(Nc3ccc(C)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BFJNGAFOVYCQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11-5-7-13(8-6-11)21-19-23-17(22-18(20)24-19)12-9-14(25-2)16(27-4)15(10-12)26-3/h5-10H,1-4H3,(H3,20,21,22,23,24).
What are the key properties of 2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 367.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 162396917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).