1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine

C16H19N5O3 — CID 22526760

IUPAC1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine
SMILESO=[N+]([O-])c1c(NNc2ccccc2)ncnc1OC1CCCCC1
InChIInChI=1S/C16H19N5O3/c22-21(23)14-15(20-19-12-7-3-1-4-8-12)17-11-18-16(14)24-13-9-5-2-6-10-13/h1,3-4,7-8,11,13,19H,2,5-6,9-10H2,(H,17,18,20)
InChIKeyOLBAFLIOLZLMSM-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.54
Rot. Bonds6

About 1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine

1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine (PubChem CID 22526760) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine.

Molecular Properties

Compound Name1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine
PubChem CID22526760
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine
SMILESO=[N+]([O-])c1c(NNc2ccccc2)ncnc1OC1CCCCC1
InChIInChI=1S/C16H19N5O3/c22-21(23)14-15(20-19-12-7-3-1-4-8-12)17-11-18-16(14)24-13-9-5-2-6-10-13/h1,3-4,7-8,11,13,19H,2,5-6,9-10H2,(H,17,18,20)
InChIKeyOLBAFLIOLZLMSM-UHFFFAOYSA-N
XLogP3.54
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.54
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-benzyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23488246
N-benzhydryl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 22534595
6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 22527631
6-cyclohexyloxy-N-(2-ethoxyphenyl)-5-nitropyrimidin-4-amine
CID 22539024
N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23478844
6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 22525692
methyl 4-[(6-cyclohexyloxy-5-nitropyrimidin-4-yl)amino]benzoate
CID 22533794
N-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 22538961
N-(5-bromo-2-pyridinyl)-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 22531392
N-(1,3-benzodioxol-5-yl)-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23480737
6-cyclohexyloxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidin-4-amine
CID 22530624
N-(4-butoxyphenyl)-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23495218

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine?
The IUPAC name of 1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine (CID 22526760) is 1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine.
What is the SMILES notation for 1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine?
The canonical SMILES for 1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine is O=[N+]([O-])c1c(NNc2ccccc2)ncnc1OC1CCCCC1.
What is the InChIKey of 1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine?
The InChIKey is OLBAFLIOLZLMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-21(23)14-15(20-19-12-7-3-1-4-8-12)17-11-18-16(14)24-13-9-5-2-6-10-13/h1,3-4,7-8,11,13,19H,2,5-6,9-10H2,(H,17,18,20).
What are the key properties of 1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine?
1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine has a molecular weight of 329.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine is sourced from PubChem (CID 22526760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).