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

C17H17N5O — CID 127036397

IUPAC6-[4-(2,3-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)c1C
InChIInChI=1S/C17H17N5O/c1-10-4-3-5-14(11(10)2)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)
InChIKeyZMAGMUUUUPJPKP-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.11
Rot. Bonds3

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

6-[4-(2,3-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 127036397) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 6-[4-(2,3-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(2,3-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID127036397
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name6-[4-(2,3-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)c1C
InChIInChI=1S/C17H17N5O/c1-10-4-3-5-14(11(10)2)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)
InChIKeyZMAGMUUUUPJPKP-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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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(2,3-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine (CID 127036397) is 6-[4-(2,3-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-(2,3-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(2,3-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine is Cc1cccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)c1C.
What is the InChIKey of 6-[4-(2,3-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ZMAGMUUUUPJPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-10-4-3-5-14(11(10)2)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-(2,3-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
6-[4-(2,3-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-(2,3-dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 127036397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).