2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine

C14H18N4 — CID 80818315

IUPAC2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine
SMILESCNc1cncc(N(C)c2ccc(C)cc2C)n1
InChIInChI=1S/C14H18N4/c1-10-5-6-12(11(2)7-10)18(4)14-9-16-8-13(15-3)17-14/h5-9H,1-4H3,(H,15,17)
InChIKeyXDPCSLWJIPLPOD-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.90
Rot. Bonds3

About 2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine

2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine (PubChem CID 80818315) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine
PubChem CID80818315
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine
SMILESCNc1cncc(N(C)c2ccc(C)cc2C)n1
InChIInChI=1S/C14H18N4/c1-10-5-6-12(11(2)7-10)18(4)14-9-16-8-13(15-3)17-14/h5-9H,1-4H3,(H,15,17)
InChIKeyXDPCSLWJIPLPOD-UHFFFAOYSA-N
XLogP2.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine (CID 80818315) is 2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine is CNc1cncc(N(C)c2ccc(C)cc2C)n1.
What is the InChIKey of 2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine?
The InChIKey is XDPCSLWJIPLPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-5-6-12(11(2)7-10)18(4)14-9-16-8-13(15-3)17-14/h5-9H,1-4H3,(H,15,17).
What are the key properties of 2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine?
2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine is sourced from PubChem (CID 80818315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).