3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

C15H27N5O — CID 80964573

IUPAC3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(C)c1nc(NN)cc(N2CCCC2CCCO)n1
InChIInChI=1S/C15H27N5O/c1-15(2,3)14-17-12(19-16)10-13(18-14)20-8-4-6-11(20)7-5-9-21/h10-11,21H,4-9,16H2,1-3H3,(H,17,18,19)
InChIKeyIXQIHCYEJNQFOY-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.80
Rot. Bonds5

About 3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 80964573) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID80964573
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(C)c1nc(NN)cc(N2CCCC2CCCO)n1
InChIInChI=1S/C15H27N5O/c1-15(2,3)14-17-12(19-16)10-13(18-14)20-8-4-6-11(20)7-5-9-21/h10-11,21H,4-9,16H2,1-3H3,(H,17,18,19)
InChIKeyIXQIHCYEJNQFOY-UHFFFAOYSA-N
XLogP1.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.80
H-Bond Donors ≤ 53
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

[2-tert-butyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80964981
3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80964581
2-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80927450
3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 80958414
1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 106775658
3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80827064
3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80935418
[2-tert-butyl-6-(2,4-dimethylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80964463
2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 83076327
[2-cyclopropyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 83056734
4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83057547
2-[1-(6-hydrazinyl-2-pyridinyl)piperidin-2-yl]ethanol
CID 80928543

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (CID 80964573) is 3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is CC(C)(C)c1nc(NN)cc(N2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is IXQIHCYEJNQFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-15(2,3)14-17-12(19-16)10-13(18-14)20-8-4-6-11(20)7-5-9-21/h10-11,21H,4-9,16H2,1-3H3,(H,17,18,19).
What are the key properties of 3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 80964573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).