5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine

C13H16BrN5 — CID 80908067

IUPAC5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
SMILESCc1cccc(CCNc2nc(NN)ncc2Br)c1
InChIInChI=1S/C13H16BrN5/c1-9-3-2-4-10(7-9)5-6-16-12-11(14)8-17-13(18-12)19-15/h2-4,7-8H,5-6,15H2,1H3,(H2,16,17,18,19)
InChIKeyGVJLJNGDHWSHEZ-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.49
Rot. Bonds5

About 5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine

5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine (PubChem CID 80908067) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
PubChem CID80908067
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC Name5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
SMILESCc1cccc(CCNc2nc(NN)ncc2Br)c1
InChIInChI=1S/C13H16BrN5/c1-9-3-2-4-10(7-9)5-6-16-12-11(14)8-17-13(18-12)19-15/h2-4,7-8H,5-6,15H2,1H3,(H2,16,17,18,19)
InChIKeyGVJLJNGDHWSHEZ-UHFFFAOYSA-N
XLogP2.49
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.49
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

5-bromo-2-N-ethyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826619
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80918985
2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80944185
5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826733
2-hydrazinyl-5-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80898668
2,5-dichloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 79631877
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023
5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine
CID 103518035
5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66303082
5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796142
5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898973
2-hydrazinyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80899340

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine (CID 80908067) is 5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine is Cc1cccc(CCNc2nc(NN)ncc2Br)c1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is GVJLJNGDHWSHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c1-9-3-2-4-10(7-9)5-6-16-12-11(14)8-17-13(18-12)19-15/h2-4,7-8H,5-6,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80908067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).