4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine

C11H13BrN6O — CID 80924462

IUPAC4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(NN)nc(N)n2)cc1Br
InChIInChI=1S/C11H13BrN6O/c1-19-8-3-2-6(4-7(8)12)15-9-5-10(18-14)17-11(13)16-9/h2-5H,14H2,1H3,(H4,13,15,16,17,18)
InChIKeyKNOXSMDAOHXCKL-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.86
Rot. Bonds4

About 4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine

4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 80924462) has the molecular formula C11H13BrN6O and a molecular weight of 325.17 g/mol. Its IUPAC name is 4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID80924462
Molecular FormulaC11H13BrN6O
Molecular Weight325.17 g/mol
Exact Mass324.03
IUPAC Name4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(NN)nc(N)n2)cc1Br
InChIInChI=1S/C11H13BrN6O/c1-19-8-3-2-6(4-7(8)12)15-9-5-10(18-14)17-11(13)16-9/h2-5H,14H2,1H3,(H4,13,15,16,17,18)
InChIKeyKNOXSMDAOHXCKL-UHFFFAOYSA-N
XLogP1.86
TPSA111.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine
CID 78955869
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 82862436
4-N-(3-bromo-4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 80846996
N-(3-fluoro-4-methoxyphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80894943
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80909095
4-N-(3-chloro-4-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80762923
4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine
CID 80802485
N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 104782098
6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine
CID 80927048
4-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328583
N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113401888

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine (CID 80924462) is 4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine is COc1ccc(Nc2cc(NN)nc(N)n2)cc1Br.
What is the InChIKey of 4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is KNOXSMDAOHXCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN6O/c1-19-8-3-2-6(4-7(8)12)15-9-5-10(18-14)17-11(13)16-9/h2-5H,14H2,1H3,(H4,13,15,16,17,18).
What are the key properties of 4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine?
4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 325.17 g/mol, XLogP of 1.86, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 80924462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).