4,6-bis(2,4-dimethylphenoxy)-1,3,5-triazin-2-amine

C19H20N4O2 — CID 134914228

IUPAC4,6-bis(2,4-dimethylphenoxy)-1,3,5-triazin-2-amine
SMILESCc1ccc(Oc2nc(N)nc(Oc3ccc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C19H20N4O2/c1-11-5-7-15(13(3)9-11)24-18-21-17(20)22-19(23-18)25-16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H2,20,21,22,23)
InChIKeyPAHLSOYTFKVUGC-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.27
Rot. Bonds4

About 4,6-bis(2,4-dimethylphenoxy)-1,3,5-triazin-2-amine

4,6-bis(2,4-dimethylphenoxy)-1,3,5-triazin-2-amine (PubChem CID 134914228) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4,6-bis(2,4-dimethylphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(2,4-dimethylphenoxy)-1,3,5-triazin-2-amine
PubChem CID134914228
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4,6-bis(2,4-dimethylphenoxy)-1,3,5-triazin-2-amine
SMILESCc1ccc(Oc2nc(N)nc(Oc3ccc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C19H20N4O2/c1-11-5-7-15(13(3)9-11)24-18-21-17(20)22-19(23-18)25-16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H2,20,21,22,23)
InChIKeyPAHLSOYTFKVUGC-UHFFFAOYSA-N
XLogP4.27
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2,4-dimethylphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(2,4-dimethylphenoxy)-1,3,5-triazin-2-amine (CID 134914228) is 4,6-bis(2,4-dimethylphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(2,4-dimethylphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(2,4-dimethylphenoxy)-1,3,5-triazin-2-amine is Cc1ccc(Oc2nc(N)nc(Oc3ccc(C)cc3C)n2)c(C)c1.
What is the InChIKey of 4,6-bis(2,4-dimethylphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is PAHLSOYTFKVUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-11-5-7-15(13(3)9-11)24-18-21-17(20)22-19(23-18)25-16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H2,20,21,22,23).
What are the key properties of 4,6-bis(2,4-dimethylphenoxy)-1,3,5-triazin-2-amine?
4,6-bis(2,4-dimethylphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 336.40 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(2,4-dimethylphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 134914228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).