2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine

C15H22N6 — CID 7589382

IUPAC2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H22N6/c1-5-16-13-19-14(17-6-2)21-15(20-13)18-12-8-7-10(3)11(4)9-12/h7-9H,5-6H2,1-4H3,(H3,16,17,18,19,20,21)
InChIKeyZSVAVIOWDWSFCZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.10
Rot. Bonds6

About 2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine

2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 7589382) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID7589382
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H22N6/c1-5-16-13-19-14(17-6-2)21-15(20-13)18-12-8-7-10(3)11(4)9-12/h7-9H,5-6H2,1-4H3,(H3,16,17,18,19,20,21)
InChIKeyZSVAVIOWDWSFCZ-UHFFFAOYSA-N
XLogP3.10
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine (CID 7589382) is 2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCC)nc(Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of 2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZSVAVIOWDWSFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-5-16-13-19-14(17-6-2)21-15(20-13)18-12-8-7-10(3)11(4)9-12/h7-9H,5-6H2,1-4H3,(H3,16,17,18,19,20,21).
What are the key properties of 2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine?
2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 286.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 7589382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).