6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine

C18H21N5O2 — CID 134107004

IUPAC6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1OCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H21N5O2/c1-18(2)22-16(19)21-17(20)23(18)24-12-13-8-10-15(11-9-13)25-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H4,19,20,21,22)
InChIKeyZCLGPBBNPQDOKH-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.59
Rot. Bonds5

About 6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine

6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine (PubChem CID 134107004) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine
PubChem CID134107004
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1OCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H21N5O2/c1-18(2)22-16(19)21-17(20)23(18)24-12-13-8-10-15(11-9-13)25-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H4,19,20,21,22)
InChIKeyZCLGPBBNPQDOKH-UHFFFAOYSA-N
XLogP2.59
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine (CID 134107004) is 6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1OCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine?
The InChIKey is ZCLGPBBNPQDOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-18(2)22-16(19)21-17(20)23(18)24-12-13-8-10-15(11-9-13)25-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H4,19,20,21,22).
What are the key properties of 6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine?
6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine has a molecular weight of 339.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[(4-phenoxyphenyl)methoxy]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 134107004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).