6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine

C10H15N3O2 — CID 80713528

IUPAC6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCCOc1cc(NC2CCOC2)ncn1
InChIInChI=1S/C10H15N3O2/c1-2-15-10-5-9(11-7-12-10)13-8-3-4-14-6-8/h5,7-8H,2-4,6H2,1H3,(H,11,12,13)
InChIKeyGLSXBUJTLIAFAC-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.08
Rot. Bonds4

About 6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine

6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 80713528) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID80713528
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCCOc1cc(NC2CCOC2)ncn1
InChIInChI=1S/C10H15N3O2/c1-2-15-10-5-9(11-7-12-10)13-8-3-4-14-6-8/h5,7-8H,2-4,6H2,1H3,(H,11,12,13)
InChIKeyGLSXBUJTLIAFAC-UHFFFAOYSA-N
XLogP1.08
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine (CID 80713528) is 6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine is CCOc1cc(NC2CCOC2)ncn1.
What is the InChIKey of 6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is GLSXBUJTLIAFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-15-10-5-9(11-7-12-10)13-8-3-4-14-6-8/h5,7-8H,2-4,6H2,1H3,(H,11,12,13).
What are the key properties of 6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine?
6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 209.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 80713528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).