[1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine

C11H18N4O — CID 102953237

IUPAC[1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine
SMILESC=C(CC)CC(NN)c1cc(OC)ncn1
InChIInChI=1S/C11H18N4O/c1-4-8(2)5-10(15-12)9-6-11(16-3)14-7-13-9/h6-7,10,15H,2,4-5,12H2,1,3H3
InChIKeyLKDMOQRVCJHOBM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.35
Rot. Bonds6

About [1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine

[1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine (PubChem CID 102953237) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine.

Molecular Properties

Compound Name[1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine
PubChem CID102953237
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine
SMILESC=C(CC)CC(NN)c1cc(OC)ncn1
InChIInChI=1S/C11H18N4O/c1-4-8(2)5-10(15-12)9-6-11(16-3)14-7-13-9/h6-7,10,15H,2,4-5,12H2,1,3H3
InChIKeyLKDMOQRVCJHOBM-UHFFFAOYSA-N
XLogP1.35
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(6-methoxypyrimidin-4-yl)-3-methylidenepentan-1-amine
CID 102950603
1-(6-methoxypyrimidin-4-yl)pent-4-enylhydrazine
CID 102953290
[2-cyclopropyl-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953246
[4-methoxy-1-(6-methoxypyrimidin-4-yl)-4-methylpentyl]hydrazine
CID 103027166
N-ethyl-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102951537
[1-(6-methoxypyrimidin-4-yl)-4-phenylbutyl]hydrazine
CID 102953393
1-(6-methoxypyrimidin-4-yl)-4-methylpent-4-en-1-ol
CID 102950530
N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine
CID 102951459
2-ethoxy-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950788
1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol
CID 102950319
[2-(2,3-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 107312811
[2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953300

Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine?
The IUPAC name of [1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine (CID 102953237) is [1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine.
What is the SMILES notation for [1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine?
The canonical SMILES for [1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine is C=C(CC)CC(NN)c1cc(OC)ncn1.
What is the InChIKey of [1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine?
The InChIKey is LKDMOQRVCJHOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-4-8(2)5-10(15-12)9-6-11(16-3)14-7-13-9/h6-7,10,15H,2,4-5,12H2,1,3H3.
What are the key properties of [1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine?
[1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine has a molecular weight of 222.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine is sourced from PubChem (CID 102953237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).