[6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine

C13H22N4O2 — CID 80924460

IUPAC[6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1c(NN)ncnc1OCC1CCOCC1
InChIInChI=1S/C13H22N4O2/c1-9(2)11-12(17-14)15-8-16-13(11)19-7-10-3-5-18-6-4-10/h8-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyNHBBXDZVDVPSTK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.69
Rot. Bonds5

About [6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine

[6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80924460) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80924460
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1c(NN)ncnc1OCC1CCOCC1
InChIInChI=1S/C13H22N4O2/c1-9(2)11-12(17-14)15-8-16-13(11)19-7-10-3-5-18-6-4-10/h8-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyNHBBXDZVDVPSTK-UHFFFAOYSA-N
XLogP1.69
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80872208
[6-(3-ethylcyclohexyl)oxy-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80922282
[6-(3-methoxycyclohexyl)oxy-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80925378
[6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923447
6-(oxan-4-yloxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80872308
[5-methyl-6-(oxolan-3-ylmethoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001634
6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 80902596
N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80913297
6-(oxolan-2-ylmethoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80859543
(6-but-3-yn-2-yloxy-5-propan-2-ylpyrimidin-4-yl)hydrazine
CID 106795707
[4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301522
3-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138684

Frequently Asked Questions

What is the IUPAC name of [6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80924460) is [6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1c(NN)ncnc1OCC1CCOCC1.
What is the InChIKey of [6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is NHBBXDZVDVPSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)11-12(17-14)15-8-16-13(11)19-7-10-3-5-18-6-4-10/h8-10H,3-7,14H2,1-2H3,(H,15,16,17).
What are the key properties of [6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 266.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80924460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).