6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C17H17N5O2 — CID 937121

IUPAC6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(OCc2nc(N)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C17H17N5O2/c1-23-13-7-9-14(10-8-13)24-11-15-20-16(18)22-17(21-15)19-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H3,18,19,20,21,22)
InChIKeyYOVHYXRKRDSBAN-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.79
Rot. Bonds6

About 6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 937121) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID937121
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(OCc2nc(N)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C17H17N5O2/c1-23-13-7-9-14(10-8-13)24-11-15-20-16(18)22-17(21-15)19-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H3,18,19,20,21,22)
InChIKeyYOVHYXRKRDSBAN-UHFFFAOYSA-N
XLogP2.79
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-ethoxyphenoxy)acetate
CID 7593801
6-(chloromethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 931904
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate
CID 7593564
2-N-(5-chloro-2-methoxyphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 17336894
6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 35041524
2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 940705
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 28568700
(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol
CID 117058513
6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 58321884
[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 4-(4-methoxyphenoxy)butanoate
CID 7631826
6-[(2-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 60594077
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7778835

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 937121) is 6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is COc1ccc(OCc2nc(N)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YOVHYXRKRDSBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-23-13-7-9-14(10-8-13)24-11-15-20-16(18)22-17(21-15)19-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 323.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 937121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).