6-[4-(2,6-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine

C17H17N5O — CID 127036400

IUPAC6-[4-(2,6-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(C)c1Oc1ccc(-c2nc(N)nc(N)n2)cc1
InChIInChI=1S/C17H17N5O/c1-10-4-3-5-11(2)14(10)23-13-8-6-12(7-9-13)15-20-16(18)22-17(19)21-15/h3-9H,1-2H3,(H4,18,19,20,21,22)
InChIKeySSVLNXPMTNJQDX-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.11
Rot. Bonds3

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

6-[4-(2,6-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 127036400) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 6-[4-(2,6-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(2,6-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID127036400
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name6-[4-(2,6-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(C)c1Oc1ccc(-c2nc(N)nc(N)n2)cc1
InChIInChI=1S/C17H17N5O/c1-10-4-3-5-11(2)14(10)23-13-8-6-12(7-9-13)15-20-16(18)22-17(19)21-15/h3-9H,1-2H3,(H4,18,19,20,21,22)
InChIKeySSVLNXPMTNJQDX-UHFFFAOYSA-N
XLogP3.11
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-(4-methoxyphenyl)-
CID 34921
2,4-Dichloro-6-(4-ethoxy-1-naphthyl)-s-triazine
CID 88967
6-(2-Methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 667613
Phenol, 2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-
CID 135486181
6-[4-(4-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 745572
2-[5-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599531
6-[4-(2-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 790865
Acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester
CID 871154
CID 127036397
CID 127036397
2-{4-Amino-6-[2-(4-methoxyphenyl)vinyl]-1,3,5-triazin-2-yl}phenol
CID 135425072
6-(4-Phenoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 745052
6-[4-[(4-Chlorophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
CID 21705470

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(2,6-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine (CID 127036400) is 6-[4-(2,6-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-(2,6-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(2,6-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine is Cc1cccc(C)c1Oc1ccc(-c2nc(N)nc(N)n2)cc1.
What is the InChIKey of 6-[4-(2,6-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SSVLNXPMTNJQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-10-4-3-5-11(2)14(10)23-13-8-6-12(7-9-13)15-20-16(18)22-17(19)21-15/h3-9H,1-2H3,(H4,18,19,20,21,22).
What are the key properties of 6-[4-(2,6-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
6-[4-(2,6-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 307.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,6-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 127036400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).