N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine

C15H21N5 — CID 80928282

IUPACN-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1Nc1cccc(CC)c1
InChIInChI=1S/C15H21N5/c1-3-6-13-14(17-10-18-15(13)20-16)19-12-8-5-7-11(4-2)9-12/h5,7-10H,3-4,6,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyXBXAHMQUBWOHAE-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.02
Rot. Bonds6

About N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine

N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine (PubChem CID 80928282) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
PubChem CID80928282
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1Nc1cccc(CC)c1
InChIInChI=1S/C15H21N5/c1-3-6-13-14(17-10-18-15(13)20-16)19-12-8-5-7-11(4-2)9-12/h5,7-10H,3-4,6,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyXBXAHMQUBWOHAE-UHFFFAOYSA-N
XLogP3.02
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.02
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'}

Analyze N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
The IUPAC name of N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine (CID 80928282) is N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine is CCCc1c(NN)ncnc1Nc1cccc(CC)c1.
What is the InChIKey of N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
The InChIKey is XBXAHMQUBWOHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-6-13-14(17-10-18-15(13)20-16)19-12-8-5-7-11(4-2)9-12/h5,7-10H,3-4,6,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine has a molecular weight of 271.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80928282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).