N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide

C13H14ClN5O2 — CID 167327397

IUPACN-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide
SMILESNNc1nc(Cl)ncc1NC(=O)COCc1ccccc1
InChIInChI=1S/C13H14ClN5O2/c14-13-16-6-10(12(18-13)19-15)17-11(20)8-21-7-9-4-2-1-3-5-9/h1-6H,7-8,15H2,(H,17,20)(H,16,18,19)
InChIKeyHGAVHZHWNMGSON-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.57
Rot. Bonds6

About N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide

N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide (PubChem CID 167327397) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide
PubChem CID167327397
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC NameN-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide
SMILESNNc1nc(Cl)ncc1NC(=O)COCc1ccccc1
InChIInChI=1S/C13H14ClN5O2/c14-13-16-6-10(12(18-13)19-15)17-11(20)8-21-7-9-4-2-1-3-5-9/h1-6H,7-8,15H2,(H,17,20)(H,16,18,19)
InChIKeyHGAVHZHWNMGSON-UHFFFAOYSA-N
XLogP1.57
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-phenylmethoxyacetamide
CID 122319473
CID 153403326
CID 153403326
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
N-(5-bromo-3-chloro-2-hydroxyphenyl)-2-phenylmethoxyacetamide
CID 75393896
N-(2-anilinophenyl)-2-phenylmethoxyacetamide
CID 112770108
N-(4-chlorophenyl)-2-[(2-phenylmethoxyacetyl)amino]benzamide
CID 55466370
2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide
CID 43429566
N-(5-amino-2-fluorophenyl)-2-phenylmethoxyacetamide
CID 16785782
N-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide
CID 146349325
N-(2-chloro-4-hydrazinylpyrimidin-5-yl)cyclopentanecarboxamide
CID 167327368
methyl 3-[(2-phenylmethoxyacetyl)amino]naphthalene-2-carboxylate
CID 55784858
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxyacetamide
CID 64795067

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide?
The IUPAC name of N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide (CID 167327397) is N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide.
What is the SMILES notation for N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide?
The canonical SMILES for N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide is NNc1nc(Cl)ncc1NC(=O)COCc1ccccc1.
What is the InChIKey of N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide?
The InChIKey is HGAVHZHWNMGSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c14-13-16-6-10(12(18-13)19-15)17-11(20)8-21-7-9-4-2-1-3-5-9/h1-6H,7-8,15H2,(H,17,20)(H,16,18,19).
What are the key properties of N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide?
N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide has a molecular weight of 307.74 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide is sourced from PubChem (CID 167327397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).