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

C12H14BrN5 — CID 80898973

IUPAC5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1ccccc1CNc1nc(NN)ncc1Br
InChIInChI=1S/C12H14BrN5/c1-8-4-2-3-5-9(8)6-15-11-10(13)7-16-12(17-11)18-14/h2-5,7H,6,14H2,1H3,(H2,15,16,17,18)
InChIKeyDBCLDJUPUHTFIZ-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.45
Rot. Bonds4

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

5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 80898973) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID80898973
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC Name5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1ccccc1CNc1nc(NN)ncc1Br
InChIInChI=1S/C12H14BrN5/c1-8-4-2-3-5-9(8)6-15-11-10(13)7-16-12(17-11)18-14/h2-5,7H,6,14H2,1H3,(H2,15,16,17,18)
InChIKeyDBCLDJUPUHTFIZ-UHFFFAOYSA-N
XLogP2.45
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.45
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-fluoro-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80899165
5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80907879
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80906951
5-bromo-2-N-ethyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80769855
5-bromo-4-N-[(2-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 80844137
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911404
2-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80943748
5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine
CID 114264170
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80913534
5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 80908067
5-bromo-2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
CID 81435682
4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39804562

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine (CID 80898973) is 5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine is Cc1ccccc1CNc1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is DBCLDJUPUHTFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c1-8-4-2-3-5-9(8)6-15-11-10(13)7-16-12(17-11)18-14/h2-5,7H,6,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 2.45, 4 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-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80898973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).