[cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine

C13H22N4O — CID 102953192

IUPAC[cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
SMILESCOc1cc(C(NN)C2CCCCCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-18-12-8-11(15-9-16-12)13(17-14)10-6-4-2-3-5-7-10/h8-10,13,17H,2-7,14H2,1H3
InChIKeyGKZRFIBNJZTBQI-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.96
Rot. Bonds4

About [cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine

[cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine (PubChem CID 102953192) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
PubChem CID102953192
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
SMILESCOc1cc(C(NN)C2CCCCCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-18-12-8-11(15-9-16-12)13(17-14)10-6-4-2-3-5-7-10/h8-10,13,17H,2-7,14H2,1H3
InChIKeyGKZRFIBNJZTBQI-UHFFFAOYSA-N
XLogP1.96
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.96
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

[(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 102953369
[(6-methoxypyrimidin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 102953258
[2-cyclopropyl-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953246
2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102950983
N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952243
[2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
CID 102953442
cyclobutyl-(6-methoxypyrimidin-4-yl)methanol
CID 102950436
N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952192
[cyclooctyl-(3,5-dimethoxyphenyl)methyl]hydrazine
CID 105255192
N-[(2-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952354
3-[cyclooctyl(hydrazinyl)methyl]-5-methylpyridin-2-amine
CID 105255255
2-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102950996

Frequently Asked Questions

What is the IUPAC name of [cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine?
The IUPAC name of [cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine (CID 102953192) is [cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine.
What is the SMILES notation for [cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine?
The canonical SMILES for [cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine is COc1cc(C(NN)C2CCCCCC2)ncn1.
What is the InChIKey of [cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine?
The InChIKey is GKZRFIBNJZTBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-18-12-8-11(15-9-16-12)13(17-14)10-6-4-2-3-5-7-10/h8-10,13,17H,2-7,14H2,1H3.
What are the key properties of [cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine?
[cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine has a molecular weight of 250.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [cycloheptyl-(6-methoxypyrimidin-4-yl)methyl]hydrazine is sourced from PubChem (CID 102953192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).