[2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine

C16H28N4O — CID 116777542

IUPAC[2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(C2(OCC)CCCCCC2)n1
InChIInChI=1S/C16H28N4O/c1-3-9-13-12-14(20-17)19-15(18-13)16(21-4-2)10-7-5-6-8-11-16/h12H,3-11,17H2,1-2H3,(H,18,19,20)
InChIKeyNHNZHZKOVJMLFU-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.30
Rot. Bonds6

About [2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine

[2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine (PubChem CID 116777542) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine
PubChem CID116777542
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(C2(OCC)CCCCCC2)n1
InChIInChI=1S/C16H28N4O/c1-3-9-13-12-14(20-17)19-15(18-13)16(21-4-2)10-7-5-6-8-11-16/h12H,3-11,17H2,1-2H3,(H,18,19,20)
InChIKeyNHNZHZKOVJMLFU-UHFFFAOYSA-N
XLogP3.30
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.30
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-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
CID 116777739
4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine
CID 116745703
2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776166
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]hydrazine
CID 116777611
[2-(1-methoxycyclobutyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 116730395
[2-(1-methoxycyclopentyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
CID 113432905
2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine
CID 116775599
2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine
CID 116776648
N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine
CID 116778500
6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine
CID 116776273
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116775938
2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine
CID 116776076

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine (CID 116777542) is [2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine is CCCc1cc(NN)nc(C2(OCC)CCCCCC2)n1.
What is the InChIKey of [2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine?
The InChIKey is NHNZHZKOVJMLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-9-13-12-14(20-17)19-15(18-13)16(21-4-2)10-7-5-6-8-11-16/h12H,3-11,17H2,1-2H3,(H,18,19,20).
What are the key properties of [2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine?
[2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine has a molecular weight of 292.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116777542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).