2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine

C16H17N5O — CID 44522863

IUPAC2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine
SMILESNC1=NC(c2ccccc2)N(OCc2ccccc2)C(N)=N1
InChIInChI=1S/C16H17N5O/c17-15-19-14(13-9-5-2-6-10-13)21(16(18)20-15)22-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H4,17,18,19,20)
InChIKeyDSFSUTYVYRIEKQ-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.76
Rot. Bonds4

About 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine

2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine (PubChem CID 44522863) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine
PubChem CID44522863
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine
SMILESNC1=NC(c2ccccc2)N(OCc2ccccc2)C(N)=N1
InChIInChI=1S/C16H17N5O/c17-15-19-14(13-9-5-2-6-10-13)21(16(18)20-15)22-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H4,17,18,19,20)
InChIKeyDSFSUTYVYRIEKQ-UHFFFAOYSA-N
XLogP1.76
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,8,10-Traiazaspiro[4.5]deca-6,8-diene-7,9-diamine, Ib
CID 44239402
2-phenyl-1-(3-phenylpropoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide
CID 162676419
1,3,5-Triazaspiro[5.5]undeca-1,3-diene-2,4-diamine, IIb
CID 44239552
1,3,5-Triazaspiro[5.5]undeca-1,3-diene-2,4-diamine, IIc
CID 44239554
N-benzyl-1-(benzyloxy)-4,5-dihydro-1H-imidazol-2-amine
CID 44337196
1-phenylmethoxy-N-(3-phenylpropyl)-4,5-dihydroimidazol-2-amine
CID 44337234
N-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 44337352
2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 44522564
2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 44522862
2-cyclopropyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 56678775
2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide
CID 162669523
1-[3-(Dibenzylamino)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 162676569

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine (CID 44522863) is 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine is NC1=NC(c2ccccc2)N(OCc2ccccc2)C(N)=N1.
What is the InChIKey of 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is DSFSUTYVYRIEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c17-15-19-14(13-9-5-2-6-10-13)21(16(18)20-15)22-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H4,17,18,19,20).
What are the key properties of 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine?
2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 295.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 44522863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).