[6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine

C13H22N4O — CID 63739487

IUPAC[6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(C2CCCOC2)n1
InChIInChI=1S/C13H22N4O/c1-13(2,3)10-7-11(17-14)16-12(15-10)9-5-4-6-18-8-9/h7,9H,4-6,8,14H2,1-3H3,(H,15,16,17)
InChIKeyMLAZUTROYLNYPT-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.95
Rot. Bonds2

About [6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine

[6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine (PubChem CID 63739487) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine
PubChem CID63739487
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(C2CCCOC2)n1
InChIInChI=1S/C13H22N4O/c1-13(2,3)10-7-11(17-14)16-12(15-10)9-5-4-6-18-8-9/h7,9H,4-6,8,14H2,1-3H3,(H,15,16,17)
InChIKeyMLAZUTROYLNYPT-UHFFFAOYSA-N
XLogP1.95
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.95
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-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 62314178
6-tert-butyl-2-cycloheptyl-N-ethylpyrimidin-4-amine
CID 65399986
N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine
CID 63739311
4,6-dichloro-2-(oxan-3-yl)pyrimidine
CID 63738240
6-tert-butyl-5-iodo-2-(oxan-3-yl)pyrimidin-4-amine
CID 66306241
2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65333979
[6-tert-butyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]hydrazine
CID 115388699
6-tert-butyl-N-ethyl-2-(oxolan-2-yl)pyrimidin-4-amine
CID 65328095
[2-(oxan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 63741787
[6-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]hydrazine
CID 79667141
4-tert-butyl-6-chloro-2-cyclobutylpyrimidine
CID 64982449
[2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 63740201

Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine (CID 63739487) is [6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine is CC(C)(C)c1cc(NN)nc(C2CCCOC2)n1.
What is the InChIKey of [6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is MLAZUTROYLNYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,3)10-7-11(17-14)16-12(15-10)9-5-4-6-18-8-9/h7,9H,4-6,8,14H2,1-3H3,(H,15,16,17).
What are the key properties of [6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine?
[6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 250.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-2-(oxan-3-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63739487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).