6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine

C19H28N6O — CID 1088062

IUPAC6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Nc2nc(N)nc(CN(C)C3CCCCC3)n2)cc1
InChIInChI=1S/C19H28N6O/c1-3-26-16-11-9-14(10-12-16)21-19-23-17(22-18(20)24-19)13-25(2)15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyJTAKYVRZPHWCMA-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.36
Rot. Bonds7

About 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine

6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1088062) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID1088062
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Nc2nc(N)nc(CN(C)C3CCCCC3)n2)cc1
InChIInChI=1S/C19H28N6O/c1-3-26-16-11-9-14(10-12-16)21-19-23-17(22-18(20)24-19)13-25(2)15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyJTAKYVRZPHWCMA-UHFFFAOYSA-N
XLogP3.36
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 1088062) is 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine is CCOc1ccc(Nc2nc(N)nc(CN(C)C3CCCCC3)n2)cc1.
What is the InChIKey of 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JTAKYVRZPHWCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-3-26-16-11-9-14(10-12-16)21-19-23-17(22-18(20)24-19)13-25(2)15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3,(H3,20,21,22,23,24).
What are the key properties of 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 356.47 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclohexyl(methyl)amino]methyl]-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1088062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).