4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile

C13H14N6 — CID 94672705

IUPAC4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile
SMILESCCc1cc(NN)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C13H14N6/c1-2-10-7-12(19-15)18-13(16-10)17-11-5-3-9(8-14)4-6-11/h3-7H,2,15H2,1H3,(H2,16,17,18,19)
InChIKeyDOJRPWWWOXOUPR-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.94
Rot. Bonds4

About 4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile

4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile (PubChem CID 94672705) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile
PubChem CID94672705
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile
SMILESCCc1cc(NN)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C13H14N6/c1-2-10-7-12(19-15)18-13(16-10)17-11-5-3-9(8-14)4-6-11/h3-7H,2,15H2,1H3,(H2,16,17,18,19)
InChIKeyDOJRPWWWOXOUPR-UHFFFAOYSA-N
XLogP1.94
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.94
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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Related Compounds

4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 94672765
4-[[4-(4-ethylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112928708
4-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80928587
4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112906997
4-[[4-amino-6-(4-bromo-2,6-diethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505520
4-[[4-phenyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112932494
4-[[4-(tert-butylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112899790
4-[[4-(3,5-dichloroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932222
4-[[4-(4-tert-butylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112929265
4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 114567424
4-[[4-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-2-yl]amino]benzonitrile
CID 112916468
4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80939564

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile?
The IUPAC name of 4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile (CID 94672705) is 4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile.
What is the SMILES notation for 4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile?
The canonical SMILES for 4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile is CCc1cc(NN)nc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile?
The InChIKey is DOJRPWWWOXOUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-2-10-7-12(19-15)18-13(16-10)17-11-5-3-9(8-14)4-6-11/h3-7H,2,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile?
4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile has a molecular weight of 254.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile is sourced from PubChem (CID 94672705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).