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

C20H22N6O2 — CID 22539636

IUPACN'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESCN(Cc1ccccc1)c1ncnc(NNC(=O)COc2ccccc2)c1N
InChIInChI=1S/C20H22N6O2/c1-26(12-15-8-4-2-5-9-15)20-18(21)19(22-14-23-20)25-24-17(27)13-28-16-10-6-3-7-11-16/h2-11,14H,12-13,21H2,1H3,(H,24,27)(H,22,23,25)
InChIKeyUSBGEVXONTWZCL-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.22
Rot. Bonds8

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

N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide (PubChem CID 22539636) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
PubChem CID22539636
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESCN(Cc1ccccc1)c1ncnc(NNC(=O)COc2ccccc2)c1N
InChIInChI=1S/C20H22N6O2/c1-26(12-15-8-4-2-5-9-15)20-18(21)19(22-14-23-20)25-24-17(27)13-28-16-10-6-3-7-11-16/h2-11,14H,12-13,21H2,1H3,(H,24,27)(H,22,23,25)
InChIKeyUSBGEVXONTWZCL-UHFFFAOYSA-N
XLogP2.22
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.22
H-Bond Donors ≤ 53
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-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22539627
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22541037
methyl 2-[[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19146255
N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152363
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152330
N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152339
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19151220
4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22539520
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine
CID 22539506
N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22541951
N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19142907
N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22540107

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The IUPAC name of N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide (CID 22539636) is N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The canonical SMILES for N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide is CN(Cc1ccccc1)c1ncnc(NNC(=O)COc2ccccc2)c1N.
What is the InChIKey of N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The InChIKey is USBGEVXONTWZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-26(12-15-8-4-2-5-9-15)20-18(21)19(22-14-23-20)25-24-17(27)13-28-16-10-6-3-7-11-16/h2-11,14H,12-13,21H2,1H3,(H,24,27)(H,22,23,25).
What are the key properties of N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide?
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide has a molecular weight of 378.44 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide is sourced from PubChem (CID 22539636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).