6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine

C13H21N5O — CID 80926873

IUPAC6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(NN)ncnc1NC1CC2CCC1O2
InChIInChI=1S/C13H21N5O/c1-7(2)11-12(15-6-16-13(11)18-14)17-9-5-8-3-4-10(9)19-8/h6-10H,3-5,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyBKRRMIPXFQFQPE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.62
Rot. Bonds4

About 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine

6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80926873) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID80926873
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(NN)ncnc1NC1CC2CCC1O2
InChIInChI=1S/C13H21N5O/c1-7(2)11-12(15-6-16-13(11)18-14)17-9-5-8-3-4-10(9)19-8/h6-10H,3-5,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyBKRRMIPXFQFQPE-UHFFFAOYSA-N
XLogP1.62
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.62
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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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine (CID 80926873) is 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(NN)ncnc1NC1CC2CCC1O2.
What is the InChIKey of 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is BKRRMIPXFQFQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-7(2)11-12(15-6-16-13(11)18-14)17-9-5-8-3-4-10(9)19-8/h6-10H,3-5,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine?
6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80926873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).