4-N-cyclohexyl-2-N-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine

C24H30N6O2 — CID 91041701

IUPAC4-N-cyclohexyl-2-N-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(CN(c2ccc(OC)cc2)c2nc(N)nc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C24H30N6O2/c1-31-20-12-8-17(9-13-20)16-30(19-10-14-21(32-2)15-11-19)24-28-22(25)27-23(29-24)26-18-6-4-3-5-7-18/h8-15,18H,3-7,16H2,1-2H3,(H3,25,26,27,28,29)
InChIKeyZYIMHFSQZTXIOH-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.55
Rot. Bonds8

About 4-N-cyclohexyl-2-N-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine

4-N-cyclohexyl-2-N-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 91041701) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID91041701
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name4-N-cyclohexyl-2-N-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(CN(c2ccc(OC)cc2)c2nc(N)nc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C24H30N6O2/c1-31-20-12-8-17(9-13-20)16-30(19-10-14-21(32-2)15-11-19)24-28-22(25)27-23(29-24)26-18-6-4-3-5-7-18/h8-15,18H,3-7,16H2,1-2H3,(H3,25,26,27,28,29)
InChIKeyZYIMHFSQZTXIOH-UHFFFAOYSA-N
XLogP4.55
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-cyclohexyl-2-N-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 91041701) is 4-N-cyclohexyl-2-N-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclohexyl-2-N-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclohexyl-2-N-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine is COc1ccc(CN(c2ccc(OC)cc2)c2nc(N)nc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 4-N-cyclohexyl-2-N-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZYIMHFSQZTXIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-31-20-12-8-17(9-13-20)16-30(19-10-14-21(32-2)15-11-19)24-28-22(25)27-23(29-24)26-18-6-4-3-5-7-18/h8-15,18H,3-7,16H2,1-2H3,(H3,25,26,27,28,29).
What are the key properties of 4-N-cyclohexyl-2-N-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
4-N-cyclohexyl-2-N-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 434.54 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 91041701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).