N'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide

C14H12BrN7O — CID 19151119

IUPACN'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide
SMILESNc1c(NNC(=O)c2ccc(Br)cc2)ncnc1-n1ccnc1
InChIInChI=1S/C14H12BrN7O/c15-10-3-1-9(2-4-10)14(23)21-20-12-11(16)13(19-7-18-12)22-6-5-17-8-22/h1-8H,16H2,(H,21,23)(H,18,19,20)
InChIKeyNGBVBTHESIXNDX-UHFFFAOYSA-N
MW374.20 g/mol
LogP1.76
Rot. Bonds4

About N'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide

N'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide (PubChem CID 19151119) has the molecular formula C14H12BrN7O and a molecular weight of 374.20 g/mol. Its IUPAC name is N'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide
PubChem CID19151119
Molecular FormulaC14H12BrN7O
Molecular Weight374.20 g/mol
Exact Mass373.03
IUPAC NameN'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide
SMILESNc1c(NNC(=O)c2ccc(Br)cc2)ncnc1-n1ccnc1
InChIInChI=1S/C14H12BrN7O/c15-10-3-1-9(2-4-10)14(23)21-20-12-11(16)13(19-7-18-12)22-6-5-17-8-22/h1-8H,16H2,(H,21,23)(H,18,19,20)
InChIKeyNGBVBTHESIXNDX-UHFFFAOYSA-N
XLogP1.76
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19138613
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19148800
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19148906
N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19151082
N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19150447
N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19137173
N'-(5-amino-6-hydrazinylpyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19150368
N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 22539855
N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151370
N'-[5-amino-6-(dibenzylamino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19136425
4-bromo-N'-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535496
N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide?
The IUPAC name of N'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide (CID 19151119) is N'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide.
What is the SMILES notation for N'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide?
The canonical SMILES for N'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide is Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1-n1ccnc1.
What is the InChIKey of N'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide?
The InChIKey is NGBVBTHESIXNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN7O/c15-10-3-1-9(2-4-10)14(23)21-20-12-11(16)13(19-7-18-12)22-6-5-17-8-22/h1-8H,16H2,(H,21,23)(H,18,19,20).
What are the key properties of N'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide?
N'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide has a molecular weight of 374.20 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide is sourced from PubChem (CID 19151119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).