4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine

C13H16N4 — CID 116977621

IUPAC4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine
SMILESCCc1cnc(N(C)c2ccc(N)cc2)nc1
InChIInChI=1S/C13H16N4/c1-3-10-8-15-13(16-9-10)17(2)12-6-4-11(14)5-7-12/h4-9H,3,14H2,1-2H3
InChIKeyUZBLIFHJTWWUCO-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.39
Rot. Bonds3

About 4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine

4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine (PubChem CID 116977621) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine
PubChem CID116977621
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine
SMILESCCc1cnc(N(C)c2ccc(N)cc2)nc1
InChIInChI=1S/C13H16N4/c1-3-10-8-15-13(16-9-10)17(2)12-6-4-11(14)5-7-12/h4-9H,3,14H2,1-2H3
InChIKeyUZBLIFHJTWWUCO-UHFFFAOYSA-N
XLogP2.39
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine (CID 116977621) is 4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine is CCc1cnc(N(C)c2ccc(N)cc2)nc1.
What is the InChIKey of 4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine?
The InChIKey is UZBLIFHJTWWUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-10-8-15-13(16-9-10)17(2)12-6-4-11(14)5-7-12/h4-9H,3,14H2,1-2H3.
What are the key properties of 4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine?
4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 116977621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).