7-pyrimidin-2-ylbicyclo[4.1.0]heptan-7-amine

C11H15N3 — CID 79331602

IUPAC7-pyrimidin-2-ylbicyclo[4.1.0]heptan-7-amine
SMILESNC1(c2ncccn2)C2CCCCC21
InChIInChI=1S/C11H15N3/c12-11(10-13-6-3-7-14-10)8-4-1-2-5-9(8)11/h3,6-9H,1-2,4-5,12H2
InChIKeyGMPIFFKCMLWLPH-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.45
Rot. Bonds1

About 7-pyrimidin-2-ylbicyclo[4.1.0]heptan-7-amine

7-pyrimidin-2-ylbicyclo[4.1.0]heptan-7-amine (PubChem CID 79331602) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 7-pyrimidin-2-ylbicyclo[4.1.0]heptan-7-amine.

Molecular Properties

Compound Name7-pyrimidin-2-ylbicyclo[4.1.0]heptan-7-amine
PubChem CID79331602
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name7-pyrimidin-2-ylbicyclo[4.1.0]heptan-7-amine
SMILESNC1(c2ncccn2)C2CCCCC21
InChIInChI=1S/C11H15N3/c12-11(10-13-6-3-7-14-10)8-4-1-2-5-9(8)11/h3,6-9H,1-2,4-5,12H2
InChIKeyGMPIFFKCMLWLPH-UHFFFAOYSA-N
XLogP1.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-pyrimidin-2-ylbicyclo[4.1.0]heptan-7-amine?
The IUPAC name of 7-pyrimidin-2-ylbicyclo[4.1.0]heptan-7-amine (CID 79331602) is 7-pyrimidin-2-ylbicyclo[4.1.0]heptan-7-amine.
What is the SMILES notation for 7-pyrimidin-2-ylbicyclo[4.1.0]heptan-7-amine?
The canonical SMILES for 7-pyrimidin-2-ylbicyclo[4.1.0]heptan-7-amine is NC1(c2ncccn2)C2CCCCC21.
What is the InChIKey of 7-pyrimidin-2-ylbicyclo[4.1.0]heptan-7-amine?
The InChIKey is GMPIFFKCMLWLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c12-11(10-13-6-3-7-14-10)8-4-1-2-5-9(8)11/h3,6-9H,1-2,4-5,12H2.
What are the key properties of 7-pyrimidin-2-ylbicyclo[4.1.0]heptan-7-amine?
7-pyrimidin-2-ylbicyclo[4.1.0]heptan-7-amine has a molecular weight of 189.26 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrimidin-2-ylbicyclo[4.1.0]heptan-7-amine is sourced from PubChem (CID 79331602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).