[2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

C16H20N4O — CID 116777487

IUPAC[2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESCCOC(c1ccccc1)c1nc2c(c(NN)n1)CCC2
InChIInChI=1S/C16H20N4O/c1-2-21-14(11-7-4-3-5-8-11)16-18-13-10-6-9-12(13)15(19-16)20-17/h3-5,7-8,14H,2,6,9-10,17H2,1H3,(H,18,19,20)
InChIKeyAQCLGEBHBQZZKB-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.38
Rot. Bonds5

About [2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

[2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (PubChem CID 116777487) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
PubChem CID116777487
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESCCOC(c1ccccc1)c1nc2c(c(NN)n1)CCC2
InChIInChI=1S/C16H20N4O/c1-2-21-14(11-7-4-3-5-8-11)16-18-13-10-6-9-12(13)15(19-16)20-17/h3-5,7-8,14H,2,6,9-10,17H2,1H3,(H,18,19,20)
InChIKeyAQCLGEBHBQZZKB-UHFFFAOYSA-N
XLogP2.38
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.38
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

[2-(1-ethoxy-2-methylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116730268
[2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116730274
[2-[cyclohexyl(ethoxy)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777479
[2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 116730417
(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine
CID 62314525
2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776116
2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
CID 10331991
[2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62716893
4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 94672736
[2-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62250852
4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine
CID 116746101
[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine
CID 116778455

Frequently Asked Questions

What is the IUPAC name of [2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (CID 116777487) is [2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is CCOC(c1ccccc1)c1nc2c(c(NN)n1)CCC2.
What is the InChIKey of [2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is AQCLGEBHBQZZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-21-14(11-7-4-3-5-8-11)16-18-13-10-6-9-12(13)15(19-16)20-17/h3-5,7-8,14H,2,6,9-10,17H2,1H3,(H,18,19,20).
What are the key properties of [2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
[2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 284.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116777487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).