N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide

C17H14BrClN6O — CID 19148807

IUPACN'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1ccc(Br)cc1
InChIInChI=1S/C17H14BrClN6O/c18-11-4-6-13(7-5-11)23-15-14(20)16(22-9-21-15)24-25-17(26)10-2-1-3-12(19)8-10/h1-9H,20H2,(H,25,26)(H2,21,22,23,24)
InChIKeyWUOUDLGCABTWBT-UHFFFAOYSA-N
MW433.70 g/mol
LogP3.98
Rot. Bonds5

About N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide

N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide (PubChem CID 19148807) 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]-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
PubChem CID19148807
Molecular FormulaC17H14BrClN6O
Molecular Weight433.70 g/mol
Exact Mass432.01
IUPAC NameN'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1ccc(Br)cc1
InChIInChI=1S/C17H14BrClN6O/c18-11-4-6-13(7-5-11)23-15-14(20)16(22-9-21-15)24-25-17(26)10-2-1-3-12(19)8-10/h1-9H,20H2,(H,25,26)(H2,21,22,23,24)
InChIKeyWUOUDLGCABTWBT-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-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 22541026
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19148800
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19150628
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19148804
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19148906
N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-3-chlorobenzohydrazide
CID 22535440
N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151582
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151561
N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19135280
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19144781
N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151564
N'-[5-amino-6-(5-chloro-2,4-dimethoxyanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151549

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide (CID 19148807) is N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide is Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1ccc(Br)cc1.
What is the InChIKey of N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The InChIKey is WUOUDLGCABTWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN6O/c18-11-4-6-13(7-5-11)23-15-14(20)16(22-9-21-15)24-25-17(26)10-2-1-3-12(19)8-10/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]-3-chlorobenzohydrazide?
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-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]-3-chlorobenzohydrazide is sourced from PubChem (CID 19148807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).