N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine

C12H15N5 — CID 80928200

IUPACN-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCc1ccc(Nc2cc(NN)ncn2)cc1
InChIInChI=1S/C12H15N5/c1-2-9-3-5-10(6-4-9)16-11-7-12(17-13)15-8-14-11/h3-8H,2,13H2,1H3,(H2,14,15,16,17)
InChIKeyPVIFVSXFANUQLP-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.07
Rot. Bonds4

About N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine

N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80928200) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80928200
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCc1ccc(Nc2cc(NN)ncn2)cc1
InChIInChI=1S/C12H15N5/c1-2-9-3-5-10(6-4-9)16-11-7-12(17-13)15-8-14-11/h3-8H,2,13H2,1H3,(H2,14,15,16,17)
InChIKeyPVIFVSXFANUQLP-UHFFFAOYSA-N
XLogP2.07
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80894746
N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80895038
4-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112865429
4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855351
6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80907992
6-hydrazinyl-N-(4-iodophenyl)pyrimidin-4-amine
CID 80927130
N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865411
N-(4-ethylphenyl)-6-hydrazinylpyrazin-2-amine
CID 80928517
6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112865422
N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80927394
methyl 2-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112865413
N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968384

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine (CID 80928200) is N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine is CCc1ccc(Nc2cc(NN)ncn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is PVIFVSXFANUQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-9-3-5-10(6-4-9)16-11-7-12(17-13)15-8-14-11/h3-8H,2,13H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine?
N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 229.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80928200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).