2-N,4-N-diethyl-6-phenoxy-1,3,5-triazine-2,4-diamine

C13H17N5O — CID 22998

IUPAC2-N,4-N-diethyl-6-phenoxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(Oc2ccccc2)n1
InChIInChI=1S/C13H17N5O/c1-3-14-11-16-12(15-4-2)18-13(17-11)19-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyWQIJHPTURKVING-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.53
Rot. Bonds6

About 2-N,4-N-diethyl-6-phenoxy-1,3,5-triazine-2,4-diamine

2-N,4-N-diethyl-6-phenoxy-1,3,5-triazine-2,4-diamine (PubChem CID 22998) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-N,4-N-diethyl-6-phenoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-6-phenoxy-1,3,5-triazine-2,4-diamine
PubChem CID22998
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-N,4-N-diethyl-6-phenoxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(Oc2ccccc2)n1
InChIInChI=1S/C13H17N5O/c1-3-14-11-16-12(15-4-2)18-13(17-11)19-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyWQIJHPTURKVING-UHFFFAOYSA-N
XLogP2.53
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-6-phenoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-6-phenoxy-1,3,5-triazine-2,4-diamine (CID 22998) is 2-N,4-N-diethyl-6-phenoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-6-phenoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-6-phenoxy-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC)nc(Oc2ccccc2)n1.
What is the InChIKey of 2-N,4-N-diethyl-6-phenoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is WQIJHPTURKVING-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-14-11-16-12(15-4-2)18-13(17-11)19-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-N,4-N-diethyl-6-phenoxy-1,3,5-triazine-2,4-diamine?
2-N,4-N-diethyl-6-phenoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 259.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-6-phenoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).