N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide

C20H22N6O2 — CID 22541037

IUPACN'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESCc1cc(C)cc(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)c1
InChIInChI=1S/C20H22N6O2/c1-13-8-14(2)10-15(9-13)24-19-18(21)20(23-12-22-19)26-25-17(27)11-28-16-6-4-3-5-7-16/h3-10,12H,11,21H2,1-2H3,(H,25,27)(H2,22,23,24,26)
InChIKeyRAJXNQCHSGCWMJ-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.94
Rot. Bonds7

About N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide

N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide (PubChem CID 22541037) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
PubChem CID22541037
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESCc1cc(C)cc(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)c1
InChIInChI=1S/C20H22N6O2/c1-13-8-14(2)10-15(9-13)24-19-18(21)20(23-12-22-19)26-25-17(27)11-28-16-6-4-3-5-7-16/h3-10,12H,11,21H2,1-2H3,(H,25,27)(H2,22,23,24,26)
InChIKeyRAJXNQCHSGCWMJ-UHFFFAOYSA-N
XLogP2.94
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22541951
N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22540107
methyl 2-[[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19146255
N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19142907
N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152363
N'-[5-amino-6-(4-bromo-2-fluoroanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152310
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22539636
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19151220
N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152339
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22541016
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151895
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152330

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The IUPAC name of N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide (CID 22541037) is N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide is Cc1cc(C)cc(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)c1.
What is the InChIKey of N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The InChIKey is RAJXNQCHSGCWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-13-8-14(2)10-15(9-13)24-19-18(21)20(23-12-22-19)26-25-17(27)11-28-16-6-4-3-5-7-16/h3-10,12H,11,21H2,1-2H3,(H,25,27)(H2,22,23,24,26).
What are the key properties of N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide has a molecular weight of 378.44 g/mol, XLogP of 2.94, 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-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide is sourced from PubChem (CID 22541037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).