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

C13H17N5 — CID 16081

IUPAC2-N,4-N-diethyl-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(-c2ccccc2)n1
InChIInChI=1S/C13H17N5/c1-3-14-12-16-11(10-8-6-5-7-9-10)17-13(18-12)15-4-2/h5-9H,3-4H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyJORVMOGILHGALE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.40
Rot. Bonds5

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

2-N,4-N-diethyl-6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 16081) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-N,4-N-diethyl-6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID16081
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-N,4-N-diethyl-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(-c2ccccc2)n1
InChIInChI=1S/C13H17N5/c1-3-14-12-16-11(10-8-6-5-7-9-10)17-13(18-12)15-4-2/h5-9H,3-4H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyJORVMOGILHGALE-UHFFFAOYSA-N
XLogP2.40
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-6-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-6-phenyl-1,3,5-triazine-2,4-diamine (CID 16081) is 2-N,4-N-diethyl-6-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-6-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-6-phenyl-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC)nc(-c2ccccc2)n1.
What is the InChIKey of 2-N,4-N-diethyl-6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JORVMOGILHGALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-3-14-12-16-11(10-8-6-5-7-9-10)17-13(18-12)15-4-2/h5-9H,3-4H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-N,4-N-diethyl-6-phenyl-1,3,5-triazine-2,4-diamine?
2-N,4-N-diethyl-6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 16081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).