5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine

C11H11BrClN5 — CID 80927863

IUPAC5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCc1c(Cl)cccc1Nc1nc(NN)ncc1Br
InChIInChI=1S/C11H11BrClN5/c1-6-8(13)3-2-4-9(6)16-10-7(12)5-15-11(17-10)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyIFVNLGTXUBSZKG-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.23
Rot. Bonds3

About 5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine

5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 80927863) has the molecular formula C11H11BrClN5 and a molecular weight of 328.60 g/mol. Its IUPAC name is 5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID80927863
Molecular FormulaC11H11BrClN5
Molecular Weight328.60 g/mol
Exact Mass326.99
IUPAC Name5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCc1c(Cl)cccc1Nc1nc(NN)ncc1Br
InChIInChI=1S/C11H11BrClN5/c1-6-8(13)3-2-4-9(6)16-10-7(12)5-15-11(17-10)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyIFVNLGTXUBSZKG-UHFFFAOYSA-N
XLogP3.23
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.23
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-4-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80763006
5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80921178
5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107638633
N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine
CID 80927953
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 80920340
5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine
CID 79075215
5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930663
5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760864
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80928095
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80928246
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine (CID 80927863) is 5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine is Cc1c(Cl)cccc1Nc1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is IFVNLGTXUBSZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN5/c1-6-8(13)3-2-4-9(6)16-10-7(12)5-15-11(17-10)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 328.60 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80927863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).