[2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine

C14H22N4O3 — CID 102953442

IUPAC[2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
SMILESCOc1cc(C(NN)C2CCOC3(CCOC3)C2)ncn1
InChIInChI=1S/C14H22N4O3/c1-19-12-6-11(16-9-17-12)13(18-15)10-2-4-21-14(7-10)3-5-20-8-14/h6,9-10,13,18H,2-5,7-8,15H2,1H3
InChIKeyGOHQTVJBSAEJBF-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.58
Rot. Bonds4

About [2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine

[2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine (PubChem CID 102953442) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is [2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
PubChem CID102953442
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name[2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
SMILESCOc1cc(C(NN)C2CCOC3(CCOC3)C2)ncn1
InChIInChI=1S/C14H22N4O3/c1-19-12-6-11(16-9-17-12)13(18-15)10-2-4-21-14(7-10)3-5-20-8-14/h6,9-10,13,18H,2-5,7-8,15H2,1H3
InChIKeyGOHQTVJBSAEJBF-UHFFFAOYSA-N
XLogP0.58
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 102953258
1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 102951343
1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 102951342
[2,6-dioxaspiro[4.5]decan-9-yl-(3-methoxyphenyl)methyl]hydrazine
CID 105191848
(6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 102950732
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethoxyethyl]hydrazine
CID 105246210
[(2,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325558
[(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325550
[(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325543
[2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105325620
[(3,5-dichloro-2-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105248860
[(3-chloro-2-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 103445920

Frequently Asked Questions

What is the IUPAC name of [2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine?
The IUPAC name of [2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine (CID 102953442) is [2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine.
What is the SMILES notation for [2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine?
The canonical SMILES for [2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine is COc1cc(C(NN)C2CCOC3(CCOC3)C2)ncn1.
What is the InChIKey of [2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine?
The InChIKey is GOHQTVJBSAEJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-19-12-6-11(16-9-17-12)13(18-15)10-2-4-21-14(7-10)3-5-20-8-14/h6,9-10,13,18H,2-5,7-8,15H2,1H3.
What are the key properties of [2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine?
[2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine has a molecular weight of 294.36 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine is sourced from PubChem (CID 102953442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).