N-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine

C12H13BrIN5 — CID 114262880

IUPACN-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1nc(NN)cc(Nc2ccc(I)c(Br)c2)n1
InChIInChI=1S/C12H13BrIN5/c1-2-10-17-11(6-12(18-10)19-15)16-7-3-4-9(14)8(13)5-7/h3-6H,2,15H2,1H3,(H2,16,17,18,19)
InChIKeyXNHRHDHZSHKMFH-UHFFFAOYSA-N
MW434.08 g/mol
LogP3.44
Rot. Bonds4

About N-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine

N-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 114262880) has the molecular formula C12H13BrIN5 and a molecular weight of 434.08 g/mol. Its IUPAC name is N-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
PubChem CID114262880
Molecular FormulaC12H13BrIN5
Molecular Weight434.08 g/mol
Exact Mass432.94
IUPAC NameN-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1nc(NN)cc(Nc2ccc(I)c(Br)c2)n1
InChIInChI=1S/C12H13BrIN5/c1-2-10-17-11(6-12(18-10)19-15)16-7-3-4-9(14)8(13)5-7/h3-6H,2,15H2,1H3,(H2,16,17,18,19)
InChIKeyXNHRHDHZSHKMFH-UHFFFAOYSA-N
XLogP3.44
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.08
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937868
N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937710
N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 104782098
4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80941489
4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80924462
4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107617788
N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113401888
2-bromo-4-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]benzonitrile
CID 112736248
N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80938024
N-(3-ethylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947085
4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801951
6-hydrazinyl-N-(4-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80947745

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine (CID 114262880) is N-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine is CCc1nc(NN)cc(Nc2ccc(I)c(Br)c2)n1.
What is the InChIKey of N-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is XNHRHDHZSHKMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrIN5/c1-2-10-17-11(6-12(18-10)19-15)16-7-3-4-9(14)8(13)5-7/h3-6H,2,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
N-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 434.08 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 114262880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).