N'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide

C20H22N6O — CID 22539377

IUPACN'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide
SMILESCCN(c1cccc(C)c1)c1ncnc(NNC(=O)c2ccccc2)c1N
InChIInChI=1S/C20H22N6O/c1-3-26(16-11-7-8-14(2)12-16)19-17(21)18(22-13-23-19)24-25-20(27)15-9-5-4-6-10-15/h4-13H,3,21H2,1-2H3,(H,25,27)(H,22,23,24)
InChIKeyMCVJMVKDMAPAPF-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.28
Rot. Bonds6

About N'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide

N'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide (PubChem CID 22539377) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide
PubChem CID22539377
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide
SMILESCCN(c1cccc(C)c1)c1ncnc(NNC(=O)c2ccccc2)c1N
InChIInChI=1S/C20H22N6O/c1-3-26(16-11-7-8-14(2)12-16)19-17(21)18(22-13-23-19)24-25-20(27)15-9-5-4-6-10-15/h4-13H,3,21H2,1-2H3,(H,25,27)(H,22,23,24)
InChIKeyMCVJMVKDMAPAPF-UHFFFAOYSA-N
XLogP3.28
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.28
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-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 22539855
6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539339
6-N-benzyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539273
3-chloro-N'-[6-(N-ethyl-3-methylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23477809
dimethyl 5-[[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22539264
N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22539870
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539266
4-N,6-N,6-N-triethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539276
N'-[6-(N-ethyl-3-methylanilino)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
CID 23477804
N'-[6-(N-ethyl-3-methylanilino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 23477811
4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539360
4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539248

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide (CID 22539377) is N'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide is CCN(c1cccc(C)c1)c1ncnc(NNC(=O)c2ccccc2)c1N.
What is the InChIKey of N'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide?
The InChIKey is MCVJMVKDMAPAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-3-26(16-11-7-8-14(2)12-16)19-17(21)18(22-13-23-19)24-25-20(27)15-9-5-4-6-10-15/h4-13H,3,21H2,1-2H3,(H,25,27)(H,22,23,24).
What are the key properties of N'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide?
N'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide has a molecular weight of 362.44 g/mol, XLogP of 3.28, 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-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 22539377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).