N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide

C20H21N5O2 — CID 19152171

IUPACN'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
SMILESCCOc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N
InChIInChI=1S/C20H21N5O2/c1-2-27-20-17(21)18(22-13-23-20)24-25-19(26)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,2,21H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyVIYMXIRALCPFIZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.73
Rot. Bonds7

About N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide

N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide (PubChem CID 19152171) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
PubChem CID19152171
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
SMILESCCOc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N
InChIInChI=1S/C20H21N5O2/c1-2-27-20-17(21)18(22-13-23-20)24-25-19(26)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,2,21H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyVIYMXIRALCPFIZ-UHFFFAOYSA-N
XLogP2.73
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.73
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-(2,2-dimethylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145603
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152176
N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152184
N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19141820
N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22539870
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide
CID 19151456
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145201
N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19137361
N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19138271
N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19143355
N'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22547096
N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22541949

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide?
The IUPAC name of N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide (CID 19152171) is N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide is CCOc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N.
What is the InChIKey of N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide?
The InChIKey is VIYMXIRALCPFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-2-27-20-17(21)18(22-13-23-20)24-25-19(26)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,2,21H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide?
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide has a molecular weight of 363.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide is sourced from PubChem (CID 19152171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).