N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine

C10H10BrN5 — CID 80928582

IUPACN-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C10H10BrN5/c11-7-2-1-3-8(4-7)15-9-5-10(16-12)14-6-13-9/h1-6H,12H2,(H2,13,14,15,16)
InChIKeyBJCRUMWYDXVSCT-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.27
Rot. Bonds3

About N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine

N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80928582) has the molecular formula C10H10BrN5 and a molecular weight of 280.13 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80928582
Molecular FormulaC10H10BrN5
Molecular Weight280.13 g/mol
Exact Mass279.01
IUPAC NameN-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C10H10BrN5/c11-7-2-1-3-8(4-7)15-9-5-10(16-12)14-6-13-9/h1-6H,12H2,(H2,13,14,15,16)
InChIKeyBJCRUMWYDXVSCT-UHFFFAOYSA-N
XLogP2.27
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.27
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

4-N-(3-bromophenyl)pyrimidine-4,6-diamine
CID 80760494
N-(3-bromophenyl)-6-chloropyrimidin-4-amine
CID 61279992
3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193173
N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine
CID 5328318
4-N-(3-bromophenyl)-6-N-[3-(prop-2-enylamino)phenyl]pyrimidine-4,6-diamine
CID 151427006
4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine
CID 112860035
6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 70209213
4-N-(3-bromophenyl)-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856981
N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80927394
6-hydrazinyl-N-(4-iodophenyl)pyrimidin-4-amine
CID 80927130
5-bromo-N-(3-bromophenyl)pyridin-2-amine
CID 61375271
4-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 140978166

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine (CID 80928582) is N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine is NNc1cc(Nc2cccc(Br)c2)ncn1.
What is the InChIKey of N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is BJCRUMWYDXVSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5/c11-7-2-1-3-8(4-7)15-9-5-10(16-12)14-6-13-9/h1-6H,12H2,(H2,13,14,15,16).
What are the key properties of N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine?
N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 280.13 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80928582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).