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

C19H19BrN6O — CID 22539855

IUPACN'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
SMILESCCN(c1ccccc1)c1ncnc(NNC(=O)c2ccc(Br)cc2)c1N
InChIInChI=1S/C19H19BrN6O/c1-2-26(15-6-4-3-5-7-15)18-16(21)17(22-12-23-18)24-25-19(27)13-8-10-14(20)11-9-13/h3-12H,2,21H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyJPHBLTDHZZIWKH-UHFFFAOYSA-N
MW427.31 g/mol
LogP3.74
Rot. Bonds6

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

N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide (PubChem CID 22539855) has the molecular formula C19H19BrN6O and a molecular weight of 427.31 g/mol. Its IUPAC name is N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
PubChem CID22539855
Molecular FormulaC19H19BrN6O
Molecular Weight427.31 g/mol
Exact Mass426.08
IUPAC NameN'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
SMILESCCN(c1ccccc1)c1ncnc(NNC(=O)c2ccc(Br)cc2)c1N
InChIInChI=1S/C19H19BrN6O/c1-2-26(15-6-4-3-5-7-15)18-16(21)17(22-12-23-18)24-25-19(27)13-8-10-14(20)11-9-13/h3-12H,2,21H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyJPHBLTDHZZIWKH-UHFFFAOYSA-N
XLogP3.74
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.31
LogP ≤ 53.74
H-Bond Donors ≤ 53
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-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide
CID 22539377
N'-[5-amino-6-(dibenzylamino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19136425
N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22539870
N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 23478300
4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine
CID 22539701
N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19150447
N'-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19138613
N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151774
N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide
CID 10466983
4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539751
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19148906
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19148800

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide (CID 22539855) is N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide is CCN(c1ccccc1)c1ncnc(NNC(=O)c2ccc(Br)cc2)c1N.
What is the InChIKey of N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide?
The InChIKey is JPHBLTDHZZIWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN6O/c1-2-26(15-6-4-3-5-7-15)18-16(21)17(22-12-23-18)24-25-19(27)13-8-10-14(20)11-9-13/h3-12H,2,21H2,1H3,(H,25,27)(H,22,23,24).
What are the key properties of N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide?
N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide has a molecular weight of 427.31 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide is sourced from PubChem (CID 22539855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).