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

C22H26N6O2 — CID 22540107

IUPACN'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESCCCCc1ccc(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)cc1
InChIInChI=1S/C22H26N6O2/c1-2-3-7-16-10-12-17(13-11-16)26-21-20(23)22(25-15-24-21)28-27-19(29)14-30-18-8-5-4-6-9-18/h4-6,8-13,15H,2-3,7,14,23H2,1H3,(H,27,29)(H2,24,25,26,28)
InChIKeyJYOWITXPIIMKTO-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.67
Rot. Bonds10

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

N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide (PubChem CID 22540107) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
PubChem CID22540107
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESCCCCc1ccc(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)cc1
InChIInChI=1S/C22H26N6O2/c1-2-3-7-16-10-12-17(13-11-16)26-21-20(23)22(25-15-24-21)28-27-19(29)14-30-18-8-5-4-6-9-18/h4-6,8-13,15H,2-3,7,14,23H2,1H3,(H,27,29)(H2,24,25,26,28)
InChIKeyJYOWITXPIIMKTO-UHFFFAOYSA-N
XLogP3.67
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.67
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-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 22540106
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22541037
N'-[6-(4-butylanilino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 23478550
N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19147712
methyl 2-[[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19146255
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152330
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22539636
6-N-butyl-4-N-(4-butylphenyl)pyrimidine-4,5,6-triamine
CID 22539974
6-N-(4-butylphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 22540135
6-N-(4-butylphenyl)-4-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22540036
N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19142907
N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22541951

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The IUPAC name of N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide (CID 22540107) is N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide is CCCCc1ccc(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The InChIKey is JYOWITXPIIMKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-2-3-7-16-10-12-17(13-11-16)26-21-20(23)22(25-15-24-21)28-27-19(29)14-30-18-8-5-4-6-9-18/h4-6,8-13,15H,2-3,7,14,23H2,1H3,(H,27,29)(H2,24,25,26,28).
What are the key properties of N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide has a molecular weight of 406.49 g/mol, XLogP of 3.67, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide is sourced from PubChem (CID 22540107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).