N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide

C16H20N6O3 — CID 23488780

IUPACN'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
SMILESCCN(CC)c1ncnc(NNC(=O)Cc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H20N6O3/c1-3-21(4-2)16-14(22(24)25)15(17-11-18-16)20-19-13(23)10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,19,23)(H,17,18,20)
InChIKeyDWXAOEUEXRYHOW-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.92
Rot. Bonds8

About N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide

N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide (PubChem CID 23488780) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
PubChem CID23488780
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC NameN'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
SMILESCCN(CC)c1ncnc(NNC(=O)Cc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H20N6O3/c1-3-21(4-2)16-14(22(24)25)15(17-11-18-16)20-19-13(23)10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,19,23)(H,17,18,20)
InChIKeyDWXAOEUEXRYHOW-UHFFFAOYSA-N
XLogP1.92
TPSA113.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23488754
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23488775
N'-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 22533947
N'-[6-(4-butylanilino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 23478550
N'-[6-(2,3-dimethylanilino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 23495322
N'-[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 22537046
N'-[6-(cyclohexylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 23487797
N'-[6-(cycloheptylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 22537071
N'-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 22537087
2-methoxy-N'-[5-nitro-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22536099
N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 23488376
4-N,4-N-dibenzyl-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 23487064

Frequently Asked Questions

What is the IUPAC name of N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide?
The IUPAC name of N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide (CID 23488780) is N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide is CCN(CC)c1ncnc(NNC(=O)Cc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide?
The InChIKey is DWXAOEUEXRYHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-3-21(4-2)16-14(22(24)25)15(17-11-18-16)20-19-13(23)10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,19,23)(H,17,18,20).
What are the key properties of N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide?
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide has a molecular weight of 344.38 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide is sourced from PubChem (CID 23488780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).