N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide

C17H14BrClN6O — CID 19148804

IUPACN'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccccc2Cl)ncnc1Nc1ccc(Br)cc1
InChIInChI=1S/C17H14BrClN6O/c18-10-5-7-11(8-6-10)23-15-14(20)16(22-9-21-15)24-25-17(26)12-3-1-2-4-13(12)19/h1-9H,20H2,(H,25,26)(H2,21,22,23,24)
InChIKeyFKZAAXIKVKOMBJ-UHFFFAOYSA-N
MW433.70 g/mol
LogP3.98
Rot. Bonds5

About N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide

N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide (PubChem CID 19148804) has the molecular formula C17H14BrClN6O and a molecular weight of 433.70 g/mol. Its IUPAC name is N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
PubChem CID19148804
Molecular FormulaC17H14BrClN6O
Molecular Weight433.70 g/mol
Exact Mass432.01
IUPAC NameN'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccccc2Cl)ncnc1Nc1ccc(Br)cc1
InChIInChI=1S/C17H14BrClN6O/c18-10-5-7-11(8-6-10)23-15-14(20)16(22-9-21-15)24-25-17(26)12-3-1-2-4-13(12)19/h1-9H,20H2,(H,25,26)(H2,21,22,23,24)
InChIKeyFKZAAXIKVKOMBJ-UHFFFAOYSA-N
XLogP3.98
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.70
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19149115
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19148800
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19148807
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19148592
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19145189
N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 19148702
N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 22546673
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19148906
N'-[5-amino-6-[2-(2-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151292
N'-[5-amino-6-(2,4-dichloroanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149808
N'-[5-amino-6-(3,4-difluoroanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151410
N'-[5-amino-6-(4-propan-2-ylanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19134693

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide (CID 19148804) is N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide is Nc1c(NNC(=O)c2ccccc2Cl)ncnc1Nc1ccc(Br)cc1.
What is the InChIKey of N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide?
The InChIKey is FKZAAXIKVKOMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN6O/c18-10-5-7-11(8-6-10)23-15-14(20)16(22-9-21-15)24-25-17(26)12-3-1-2-4-13(12)19/h1-9H,20H2,(H,25,26)(H2,21,22,23,24).
What are the key properties of N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide?
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide has a molecular weight of 433.70 g/mol, XLogP of 3.98, 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-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide is sourced from PubChem (CID 19148804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).