N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide

C17H19N7O2 — CID 19152363

IUPACN'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESCc1cc(C)n(-c2ncnc(NNC(=O)COc3ccccc3)c2N)n1
InChIInChI=1S/C17H19N7O2/c1-11-8-12(2)24(23-11)17-15(18)16(19-10-20-17)22-21-14(25)9-26-13-6-4-3-5-7-13/h3-8,10H,9,18H2,1-2H3,(H,21,25)(H,19,20,22)
InChIKeyQTPHBRIPRMSPRT-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.38
Rot. Bonds6

About N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide

N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide (PubChem CID 19152363) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide
PubChem CID19152363
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC NameN'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESCc1cc(C)n(-c2ncnc(NNC(=O)COc3ccccc3)c2N)n1
InChIInChI=1S/C17H19N7O2/c1-11-8-12(2)24(23-11)17-15(18)16(19-10-20-17)22-21-14(25)9-26-13-6-4-3-5-7-13/h3-8,10H,9,18H2,1-2H3,(H,21,25)(H,19,20,22)
InChIKeyQTPHBRIPRMSPRT-UHFFFAOYSA-N
XLogP1.38
TPSA119.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22541037
N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19140355
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22539636
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
N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19142907
4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
CID 19152787
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
N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22540107
N'-[5-amino-6-(4-bromo-2-fluoroanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152310
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151895

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The IUPAC name of N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide (CID 19152363) is N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide is Cc1cc(C)n(-c2ncnc(NNC(=O)COc3ccccc3)c2N)n1.
What is the InChIKey of N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The InChIKey is QTPHBRIPRMSPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-11-8-12(2)24(23-11)17-15(18)16(19-10-20-17)22-21-14(25)9-26-13-6-4-3-5-7-13/h3-8,10H,9,18H2,1-2H3,(H,21,25)(H,19,20,22).
What are the key properties of N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide has a molecular weight of 353.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide is sourced from PubChem (CID 19152363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).