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

C18H24N6O2 — CID 19140355

IUPACN'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESCC1CCN(c2ncnc(NNC(=O)COc3ccccc3)c2N)CC1
InChIInChI=1S/C18H24N6O2/c1-13-7-9-24(10-8-13)18-16(19)17(20-12-21-18)23-22-15(25)11-26-14-5-3-2-4-6-14/h2-6,12-13H,7-11,19H2,1H3,(H,22,25)(H,20,21,23)
InChIKeyGUKVRLKCWDFSNV-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.82
Rot. Bonds6

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

N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide (PubChem CID 19140355) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide
PubChem CID19140355
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESCC1CCN(c2ncnc(NNC(=O)COc3ccccc3)c2N)CC1
InChIInChI=1S/C18H24N6O2/c1-13-7-9-24(10-8-13)18-16(19)17(20-12-21-18)23-22-15(25)11-26-14-5-3-2-4-6-14/h2-6,12-13H,7-11,19H2,1H3,(H,22,25)(H,20,21,23)
InChIKeyGUKVRLKCWDFSNV-UHFFFAOYSA-N
XLogP1.82
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.82
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-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152339
N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152363
methyl 2-[[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19140292
ethyl 2-[[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19140401
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22541037
N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22543071
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22539636
N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19139500
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19151220
4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22543846
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

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The IUPAC name of N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide (CID 19140355) is N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide is CC1CCN(c2ncnc(NNC(=O)COc3ccccc3)c2N)CC1.
What is the InChIKey of N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The InChIKey is GUKVRLKCWDFSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13-7-9-24(10-8-13)18-16(19)17(20-12-21-18)23-22-15(25)11-26-14-5-3-2-4-6-14/h2-6,12-13H,7-11,19H2,1H3,(H,22,25)(H,20,21,23).
What are the key properties of N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide has a molecular weight of 356.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide is sourced from PubChem (CID 19140355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).