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

C20H22N6O4 — CID 19142907

IUPACN'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESCOc1ccc(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)c(OC)c1
InChIInChI=1S/C20H22N6O4/c1-28-14-8-9-15(16(10-14)29-2)24-19-18(21)20(23-12-22-19)26-25-17(27)11-30-13-6-4-3-5-7-13/h3-10,12H,11,21H2,1-2H3,(H,25,27)(H2,22,23,24,26)
InChIKeyJQKHQKASTLOLKZ-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.34
Rot. Bonds9

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

N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide (PubChem CID 19142907) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
PubChem CID19142907
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC NameN'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESCOc1ccc(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)c(OC)c1
InChIInChI=1S/C20H22N6O4/c1-28-14-8-9-15(16(10-14)29-2)24-19-18(21)20(23-12-22-19)26-25-17(27)11-30-13-6-4-3-5-7-13/h3-10,12H,11,21H2,1-2H3,(H,25,27)(H2,22,23,24,26)
InChIKeyJQKHQKASTLOLKZ-UHFFFAOYSA-N
XLogP2.34
TPSA132.65 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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
methyl 2-[[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19146255
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22541037
N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide
CID 19142733
N'-[5-amino-6-(4-bromo-2-fluoroanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152310
N'-[6-(2-methoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22532309
6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19142831
6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19142840
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22539636
4-N-(2,5-dimethoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19142678
4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542762

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The IUPAC name of N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide (CID 19142907) is N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide is COc1ccc(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)c(OC)c1.
What is the InChIKey of N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The InChIKey is JQKHQKASTLOLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-28-14-8-9-15(16(10-14)29-2)24-19-18(21)20(23-12-22-19)26-25-17(27)11-30-13-6-4-3-5-7-13/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-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide has a molecular weight of 410.43 g/mol, XLogP of 2.34, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide is sourced from PubChem (CID 19142907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).