N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide

C17H14BrIN6O — CID 19148906

IUPACN'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
SMILESNc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(I)cc1
InChIInChI=1S/C17H14BrIN6O/c18-11-3-1-10(2-4-11)17(26)25-24-16-14(20)15(21-9-22-16)23-13-7-5-12(19)6-8-13/h1-9H,20H2,(H,25,26)(H2,21,22,23,24)
InChIKeyOIRKBBMFJFOOOO-UHFFFAOYSA-N
MW525.15 g/mol
LogP3.93
Rot. Bonds5

About N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide

N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide (PubChem CID 19148906) has the molecular formula C17H14BrIN6O and a molecular weight of 525.15 g/mol. Its IUPAC name is N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
PubChem CID19148906
Molecular FormulaC17H14BrIN6O
Molecular Weight525.15 g/mol
Exact Mass523.95
IUPAC NameN'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
SMILESNc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(I)cc1
InChIInChI=1S/C17H14BrIN6O/c18-11-3-1-10(2-4-11)17(26)25-24-16-14(20)15(21-9-22-16)23-13-7-5-12(19)6-8-13/h1-9H,20H2,(H,25,26)(H2,21,22,23,24)
InChIKeyOIRKBBMFJFOOOO-UHFFFAOYSA-N
XLogP3.93
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.15
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19148800
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19148584
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19148917
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19148807
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19148804
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22541016
N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19150657
4-[[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid
CID 19151801
N'-[5-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151006
N'-[6-(4-bromoanilino)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 22533079
N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19150447
N'-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)-4-bromobenzohydrazide
CID 19151119

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide (CID 19148906) is N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide is Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1Nc1ccc(I)cc1.
What is the InChIKey of N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide?
The InChIKey is OIRKBBMFJFOOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrIN6O/c18-11-3-1-10(2-4-11)17(26)25-24-16-14(20)15(21-9-22-16)23-13-7-5-12(19)6-8-13/h1-9H,20H2,(H,25,26)(H2,21,22,23,24).
What are the key properties of N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide?
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide has a molecular weight of 525.15 g/mol, XLogP of 3.93, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide is sourced from PubChem (CID 19148906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).