[6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine

C16H22N4O — CID 103286504

IUPAC[6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine
SMILESCCCC(C)COc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-3-7-12(2)11-21-15-10-14(20-17)18-16(19-15)13-8-5-4-6-9-13/h4-6,8-10,12H,3,7,11,17H2,1-2H3,(H,18,19,20)
InChIKeyFZSRYMITLQLURZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.24
Rot. Bonds7

About [6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine

[6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine (PubChem CID 103286504) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine
PubChem CID103286504
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine
SMILESCCCC(C)COc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-3-7-12(2)11-21-15-10-14(20-17)18-16(19-15)13-8-5-4-6-9-13/h4-6,8-10,12H,3,7,11,17H2,1-2H3,(H,18,19,20)
InChIKeyFZSRYMITLQLURZ-UHFFFAOYSA-N
XLogP3.24
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-hydrazinyl-6-(2-methylpentoxy)pyrimidin-2-amine
CID 103286528
[2-phenyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine
CID 115916312
[6-(2-ethoxyethoxy)-2-phenylpyrimidin-4-yl]hydrazine
CID 115916297
6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine
CID 115915961
(6-ethyl-2-phenylpyrimidin-4-yl)hydrazine
CID 62252566
(6-but-3-yn-2-yloxy-2-phenylpyrimidin-4-yl)hydrazine
CID 106795688
6-hydrazinyl-N-(3-methylpentan-2-yl)-2-phenylpyrimidin-4-amine
CID 115916157
N-methyl-6-(4-methylpentoxy)-2-phenylpyrimidin-4-amine
CID 115915818
(2-phenyl-6-propylpyrimidin-4-yl)hydrazine
CID 62252370
6-butoxy-N-methyl-2-phenylpyrimidin-4-amine
CID 112559898
(6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine
CID 112560009
N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915871

Frequently Asked Questions

What is the IUPAC name of [6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine (CID 103286504) is [6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine is CCCC(C)COc1cc(NN)nc(-c2ccccc2)n1.
What is the InChIKey of [6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine?
The InChIKey is FZSRYMITLQLURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-7-12(2)11-21-15-10-14(20-17)18-16(19-15)13-8-5-4-6-9-13/h4-6,8-10,12H,3,7,11,17H2,1-2H3,(H,18,19,20).
What are the key properties of [6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine?
[6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine has a molecular weight of 286.38 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 103286504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).