6-hydrazinyl-N-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine

C11H17N5O — CID 139330257

IUPAC6-hydrazinyl-N-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine
SMILESNNc1cc(NC2CC3OCCCC23)ncn1
InChIInChI=1S/C11H17N5O/c12-16-11-5-10(13-6-14-11)15-8-4-9-7(8)2-1-3-17-9/h5-9H,1-4,12H2,(H2,13,14,15,16)
InChIKeyJGMVKESAYUCPAY-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.74
Rot. Bonds3

About 6-hydrazinyl-N-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine

6-hydrazinyl-N-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine (PubChem CID 139330257) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine
PubChem CID139330257
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name6-hydrazinyl-N-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine
SMILESNNc1cc(NC2CC3OCCCC23)ncn1
InChIInChI=1S/C11H17N5O/c12-16-11-5-10(13-6-14-11)15-8-4-9-7(8)2-1-3-17-9/h5-9H,1-4,12H2,(H2,13,14,15,16)
InChIKeyJGMVKESAYUCPAY-UHFFFAOYSA-N
XLogP0.74
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.74
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-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine (CID 139330257) is 6-hydrazinyl-N-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine is NNc1cc(NC2CC3OCCCC23)ncn1.
What is the InChIKey of 6-hydrazinyl-N-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine?
The InChIKey is JGMVKESAYUCPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c12-16-11-5-10(13-6-14-11)15-8-4-9-7(8)2-1-3-17-9/h5-9H,1-4,12H2,(H2,13,14,15,16).
What are the key properties of 6-hydrazinyl-N-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine?
6-hydrazinyl-N-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine has a molecular weight of 235.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2-oxabicyclo[4.2.0]octan-7-yl)pyrimidin-4-amine is sourced from PubChem (CID 139330257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).