5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine

C13H16BrN5 — CID 80908616

IUPAC5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine
SMILESCCN(c1ccc(C)cc1)c1nc(NN)ncc1Br
InChIInChI=1S/C13H16BrN5/c1-3-19(10-6-4-9(2)5-7-10)12-11(14)8-16-13(17-12)18-15/h4-8H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyGMZXJWDFJMVZLO-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.99
Rot. Bonds4

About 5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine

5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 80908616) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine
PubChem CID80908616
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC Name5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine
SMILESCCN(c1ccc(C)cc1)c1nc(NN)ncc1Br
InChIInChI=1S/C13H16BrN5/c1-3-19(10-6-4-9(2)5-7-10)12-11(14)8-16-13(17-12)18-15/h4-8H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyGMZXJWDFJMVZLO-UHFFFAOYSA-N
XLogP2.99
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.99
H-Bond Donors ≤ 52
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

5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 80818351
5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80817817
5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine
CID 80895372
5-bromo-N-ethyl-2-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80901659
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80898903
5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine
CID 107871847
5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930663
5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80757604
5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80898833
N-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine
CID 80903906
N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 80916335
6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine
CID 115474047

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine (CID 80908616) is 5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine is CCN(c1ccc(C)cc1)c1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is GMZXJWDFJMVZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c1-3-19(10-6-4-9(2)5-7-10)12-11(14)8-16-13(17-12)18-15/h4-8H,3,15H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine?
5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80908616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).