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

C24H25N5O — CID 129010579

IUPAC6,6-dimethyl-1-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N5O/c1-24(2)28-22(25)27-23(26)29(24)20-12-14-21(15-13-20)30-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H4,25,26,27,28)
InChIKeyQRPKJGNZOVHFAZ-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.12
Rot. Bonds5

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

6,6-dimethyl-1-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 129010579) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 6,6-dimethyl-1-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6,6-dimethyl-1-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID129010579
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name6,6-dimethyl-1-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N5O/c1-24(2)28-22(25)27-23(26)29(24)20-12-14-21(15-13-20)30-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H4,25,26,27,28)
InChIKeyQRPKJGNZOVHFAZ-UHFFFAOYSA-N
XLogP4.12
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6,6-dimethyl-1-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine (CID 129010579) is 6,6-dimethyl-1-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6,6-dimethyl-1-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6,6-dimethyl-1-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 6,6-dimethyl-1-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is QRPKJGNZOVHFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-24(2)28-22(25)27-23(26)29(24)20-12-14-21(15-13-20)30-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H4,25,26,27,28).
What are the key properties of 6,6-dimethyl-1-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine?
6,6-dimethyl-1-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 399.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 129010579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).