1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

C15H22N6 — CID 115379768

IUPAC1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCCc1c(NN)ncnc1Nc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C15H22N6/c1-5-12-14(17-9-18-15(12)20-16)19-11-7-6-10(2)13(8-11)21(3)4/h6-9H,5,16H2,1-4H3,(H2,17,18,19,20)
InChIKeyPLBCZEPIANSOGD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.44
Rot. Bonds5

About 1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 115379768) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID115379768
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCCc1c(NN)ncnc1Nc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C15H22N6/c1-5-12-14(17-9-18-15(12)20-16)19-11-7-6-10(2)13(8-11)21(3)4/h6-9H,5,16H2,1-4H3,(H2,17,18,19,20)
InChIKeyPLBCZEPIANSOGD-UHFFFAOYSA-N
XLogP2.44
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 115379768) is 1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is CCc1c(NN)ncnc1Nc1ccc(C)c(N(C)C)c1.
What is the InChIKey of 1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is PLBCZEPIANSOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-5-12-14(17-9-18-15(12)20-16)19-11-7-6-10(2)13(8-11)21(3)4/h6-9H,5,16H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 115379768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).