7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine

C10H14N4O — CID 66195566

IUPAC7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESNC1C2CCOC2C1Nc1ncccn1
InChIInChI=1S/C10H14N4O/c11-7-6-2-5-15-9(6)8(7)14-10-12-3-1-4-13-10/h1,3-4,6-9H,2,5,11H2,(H,12,13,14)
InChIKeyBRCQWIJNBZLNDH-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.00
Rot. Bonds2

About 7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine

7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine (PubChem CID 66195566) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine.

Molecular Properties

Compound Name7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
PubChem CID66195566
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESNC1C2CCOC2C1Nc1ncccn1
InChIInChI=1S/C10H14N4O/c11-7-6-2-5-15-9(6)8(7)14-10-12-3-1-4-13-10/h1,3-4,6-9H,2,5,11H2,(H,12,13,14)
InChIKeyBRCQWIJNBZLNDH-UHFFFAOYSA-N
XLogP0.00
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The IUPAC name of 7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine (CID 66195566) is 7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine.
What is the SMILES notation for 7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The canonical SMILES for 7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine is NC1C2CCOC2C1Nc1ncccn1.
What is the InChIKey of 7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The InChIKey is BRCQWIJNBZLNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-7-6-2-5-15-9(6)8(7)14-10-12-3-1-4-13-10/h1,3-4,6-9H,2,5,11H2,(H,12,13,14).
What are the key properties of 7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine has a molecular weight of 206.25 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-pyrimidin-2-yl-2-oxabicyclo[3.2.0]heptane-6,7-diamine is sourced from PubChem (CID 66195566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).