[6-(oxan-4-yloxy)pyrimidin-4-yl]methanamine

C10H15N3O2 — CID 86277027

IUPAC[6-(oxan-4-yloxy)pyrimidin-4-yl]methanamine
SMILESNCc1cc(OC2CCOCC2)ncn1
InChIInChI=1S/C10H15N3O2/c11-6-8-5-10(13-7-12-8)15-9-1-3-14-4-2-9/h5,7,9H,1-4,6,11H2
InChIKeyZUPVYNXXNRNMIM-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.49
Rot. Bonds3

About [6-(oxan-4-yloxy)pyrimidin-4-yl]methanamine

[6-(oxan-4-yloxy)pyrimidin-4-yl]methanamine (PubChem CID 86277027) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is [6-(oxan-4-yloxy)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(oxan-4-yloxy)pyrimidin-4-yl]methanamine
PubChem CID86277027
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name[6-(oxan-4-yloxy)pyrimidin-4-yl]methanamine
SMILESNCc1cc(OC2CCOCC2)ncn1
InChIInChI=1S/C10H15N3O2/c11-6-8-5-10(13-7-12-8)15-9-1-3-14-4-2-9/h5,7,9H,1-4,6,11H2
InChIKeyZUPVYNXXNRNMIM-UHFFFAOYSA-N
XLogP0.49
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(oxan-4-yloxy)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-(oxan-4-yloxy)pyrimidin-4-yl]methanamine (CID 86277027) is [6-(oxan-4-yloxy)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-(oxan-4-yloxy)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-(oxan-4-yloxy)pyrimidin-4-yl]methanamine is NCc1cc(OC2CCOCC2)ncn1.
What is the InChIKey of [6-(oxan-4-yloxy)pyrimidin-4-yl]methanamine?
The InChIKey is ZUPVYNXXNRNMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-6-8-5-10(13-7-12-8)15-9-1-3-14-4-2-9/h5,7,9H,1-4,6,11H2.
What are the key properties of [6-(oxan-4-yloxy)pyrimidin-4-yl]methanamine?
[6-(oxan-4-yloxy)pyrimidin-4-yl]methanamine has a molecular weight of 209.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(oxan-4-yloxy)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 86277027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).