N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide

C14H17BrN6O2 — CID 19150447

IUPACN'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide
SMILESCOCCNc1ncnc(NNC(=O)c2ccc(Br)cc2)c1N
InChIInChI=1S/C14H17BrN6O2/c1-23-7-6-17-12-11(16)13(19-8-18-12)20-21-14(22)9-2-4-10(15)5-3-9/h2-5,8H,6-7,16H2,1H3,(H,21,22)(H2,17,18,19,20)
InChIKeyWOKJRKUTJODMEV-UHFFFAOYSA-N
MW381.23 g/mol
LogP1.64
Rot. Bonds7

About N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide

N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide (PubChem CID 19150447) has the molecular formula C14H17BrN6O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide
PubChem CID19150447
Molecular FormulaC14H17BrN6O2
Molecular Weight381.23 g/mol
Exact Mass380.06
IUPAC NameN'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide
SMILESCOCCNc1ncnc(NNC(=O)c2ccc(Br)cc2)c1N
InChIInChI=1S/C14H17BrN6O2/c1-23-7-6-17-12-11(16)13(19-8-18-12)20-21-14(22)9-2-4-10(15)5-3-9/h2-5,8H,6-7,16H2,1H3,(H,21,22)(H2,17,18,19,20)
InChIKeyWOKJRKUTJODMEV-UHFFFAOYSA-N
XLogP1.64
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19150448
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide
CID 19144208
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744
N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19142738
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19148800
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19148906
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19144226
N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 22539855
N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide
CID 19150367
N'-[5-amino-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22541708
N'-[5-amino-6-(dibenzylamino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19136425
4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine
CID 19135072

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide (CID 19150447) is N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide is COCCNc1ncnc(NNC(=O)c2ccc(Br)cc2)c1N.
What is the InChIKey of N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide?
The InChIKey is WOKJRKUTJODMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN6O2/c1-23-7-6-17-12-11(16)13(19-8-18-12)20-21-14(22)9-2-4-10(15)5-3-9/h2-5,8H,6-7,16H2,1H3,(H,21,22)(H2,17,18,19,20).
What are the key properties of N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide?
N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide has a molecular weight of 381.23 g/mol, XLogP of 1.64, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-bromobenzohydrazide is sourced from PubChem (CID 19150447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).