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

C17H14BrClN6O — CID 19148800

IUPACN'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1Nc1ccc(Br)cc1
InChIInChI=1S/C17H14BrClN6O/c18-11-3-7-13(8-4-11)23-15-14(20)16(22-9-21-15)24-25-17(26)10-1-5-12(19)6-2-10/h1-9H,20H2,(H,25,26)(H2,21,22,23,24)
InChIKeyZQZVKMYNZZSYRH-UHFFFAOYSA-N
MW433.70 g/mol
LogP3.98
Rot. Bonds5

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

N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide (PubChem CID 19148800) 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]-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
PubChem CID19148800
Molecular FormulaC17H14BrClN6O
Molecular Weight433.70 g/mol
Exact Mass432.01
IUPAC NameN'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1Nc1ccc(Br)cc1
InChIInChI=1S/C17H14BrClN6O/c18-11-3-7-13(8-4-11)23-15-14(20)16(22-9-21-15)24-25-17(26)10-1-5-12(19)6-2-10/h1-9H,20H2,(H,25,26)(H2,21,22,23,24)
InChIKeyZQZVKMYNZZSYRH-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'}

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Related Compounds

N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19148906
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19148807
N'-[5-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151006
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19148804
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19148584
N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150707
dimethyl 5-[[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547683
N'-[5-amino-6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150738
N'-[5-amino-6-(3,5-dichloroanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22545003
4-chloro-N'-[6-(4-chloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22532964
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19150984
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22541016

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide (CID 19148800) is N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide is Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1Nc1ccc(Br)cc1.
What is the InChIKey of N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide?
The InChIKey is ZQZVKMYNZZSYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN6O/c18-11-3-7-13(8-4-11)23-15-14(20)16(22-9-21-15)24-25-17(26)10-1-5-12(19)6-2-10/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]-4-chlorobenzohydrazide?
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-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]-4-chlorobenzohydrazide is sourced from PubChem (CID 19148800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).